Ultrafast Dynamics of Electronic Excitations in a Light-Harvesting Phenylacetylene Dendrimer (English)

in JOURNAL OF PHYSICAL CHEMISTRY A ; 105 ; 5595-5598
JOURNAL OF PHYSICAL CHEMISTRY A
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  • Title:
    Ultrafast Dynamics of Electronic Excitations in a Light-Harvesting Phenylacetylene Dendrimer
  • Author / Creator:
  • Journal / Series:
  • Volume:
    105
  • Page:
    5595-5598
  • Publisher:
    AMERICAN CHEMICAL SOCIETY
  • Year of publication:
    2001
  • Size:
    4 pages
  • ISSN:
  • Type of media:
    Article (Journal)
  • Type of material:
    Print
  • Language:
    English
  • Classification:
    DDC:    541 / 540

Table of contents – Volume 105

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Tables of content are generated automatically and are based on records of articles contained that are available in the TIB-Portal index. Due to missing records of articles, the volume display may be incomplete, even though the whole journal is available at TIB.

1
Evidence for a Lower Enthalpy of Formation of Hydroxyl Radical and a Lower Gas-Phase Bond Dissociation Energy of Water
Ruscic, Branko / Feller, David / Dixon, David A. / Peterson, Kirk A. / Harding, Lawrence B. / Asher, Robert L. / Wagner, Albert F. | 2001
5
Interdisciplinary Applications of Pauling's Metallic Orbital and Unsynchronized Resonance to Problems of Modern Physical Chemistry:  Conductivity, Magnetism, Molecular Stability, Superconductivity, Catalysis, Photoconductivity, and Chemical Reactions
Pavão, Antonio C. / Taft, Carlton A. / Guimarães, Tereza C. F. / Leão, Marcelo B. C. / Mohallem, José R. / Lester, William A. | 2001
7
Announcement from the American Chemical Society Division of Physical Chemistry
| 2001
12
A pH-Jump Reaction Studied by the Transient Grating Method:  Photodissociation ofo-Nitrobenzaldehyde
Choi, Jungkwon / Hirota, Noboru / Terazima, Masahide | 2001
19
Instantaneous and Permanent Photoionization
Lukzen, N. N. / Krissinel, E. B. / Igoshin, O. A. / Burshtein, A. I. | 2001
29
Collisional Quenching and Vibrational Energy Transfer in theA2Σ+Electronic State of the CF Radical
Nizamov, Boris / Dagdigian, Paul J. | 2001
29
Collisional Quenching and Vibrational Energy Transfer in the A^2Sigma^+ Electronic State of the CF Radical
Nizamov, B. / Dagdigian, P. J. | 2001
34
Investigation of the Dynamics of Two Chiral Smectogens by Means of2H NMR
Catalano, Donata / Cifelli, Mario / Geppi, Marco / Veracini, CarloAlberto | 2001
41
Quasiclassical Trajectory Calculations of Mg(3s3p^1P~1) + H~2 (v = 0, N = 1) → MgH (v, N) + H: Trajectory and Angular Momentum Analysis on Improved ab Initio Potential Energy Surfaces
Hung, Y.-M. / Lin, K.-C. | 2001
41
Quasiclassical Trajectory Calculations of Mg(3s3p1P1) + H2(υ = 0,N= 1) → MgH (υ,N) + H:  Trajectory and Angular Momentum Analysis on Improved ab Initio Potential Energy Surfaces
Hung, Yu-Ming / Lin, King-Chuen | 2001
48
Optimal Algorithm for Single-Molecule Identification with Time-Correlated Single-Photon Counting
Enderlein, Jörg / Sauer, Markus | 2001
54
Coordination and Chemistry of Stable Cu(II) Complexes in the Gas Phase
Wright, Rossana R. / Walker, Nicholas R. / Firth, Steve / Stace, Anthony J. | 2001
65
Reaction Processes of O(1D) with Fluoroethane Compounds
Kono, Mitsuhiko / Matsumi, Yutaka | 2001
70
Sequential Two-Photon Dissociation of Atmospheric Water
Goss, Lisa M. / Vaida, Veronica / Brault, James W. / Skodje, Rex T. | 2001
76
Kinetics of the Reaction of the CHCl2Radical with Oxygen Atoms
Stoliarov, Stanislav I. / Bencsura, Ákos / Shafir, Eugene / Knyazev, Vadim D. / Slagle, Irene R. | 2001
82
Homogeneous Aerosol Formation by the Chlorine Atom Initiated Oxidation of Toluene
Karlsson, Rune S. / Szente, Joseph J. / Ball, James C. / Maricq, M. Matti | 2001
97
Oxalyl ChlorideA Clean Source of Chlorine Atoms for Kinetic Studies
Baklanov, Alexey V. / Krasnoperov, Lev N. | 2001
104
Studies of Double-Layer Effects at Single Crystal Gold Electrodes II. The Reduction Kinetics of Hexaaquairon(III) Ion in Aqueous Solutions
Hromadová, Magdalena / Fawcett, W. Ronald | 2001
112
Spiral Instabilities in a Reaction−Diffusion System
Zhou, Lu Qun | 2001
119
Reactivity and Selectivity of Reactions of Small Radicals with a Multifunctional Heterocyclic Molecule:  3-(Mercaptoethyl)chinazoline-2,4-(1H,3H)dione
Brede, O. / Schwinn, J. / Leistner, S. / Naumov, S. / Sprinz, H. | 2001
128
Quasi-Relativistic Study of199Hg Nuclear Magnetic Shielding Constants of Dimethylmercury, Disilylmercury and Digermylmercury
Wan, Jian / Fukuda, Ryoichi / Hada, Masahiko / Nakatsuji, Hiroshi | 2001
134
Capability of LEPS Surfaces to Describe the Kinetics and Dynamics of Non-Collinear Reactions
Espinosa-García, J. | 2001
140
A Mechanistic Study of the Reactions of H, O (3P), and OH with Monocyclic Aromatic Hydrocarbons by Density Functional Theory
Barckholtz, Cynthia / Barckholtz, Timothy A. / Hadad, Christopher M. | 2001
153
Low Energy Barrier Proton Transfer in Protonated Benzene−Water Complex
Kryachko, Eugene S. / Nguyen, Minh Tho | 2001
156
Theoretical Study of the Reaction of Atomic Hydrogen with Acetonitrile
Wang, Baoshan / Hou, Hua / Gu, Yueshu | 2001
165
Model Potential Calculations for the Ground and Various Excited States of LiNa+
Magnier, S. / Aubert-Frécon, M. | 2001
169
Reactivity Dynamics in Atom−Field Interactions: A Quantum Fluid Density Functional Study
Chattaraj, P. K. / Maiti, B. | 2001
184
A CASSCF/CASPT2 and TD-DFT Study of the Low-Lying Excited States of η5-CpMn(CO)3
Full, Jürgen / González, Leticia / Daniel, Chantal | 2001
184
A CASSCF/CASPT2 and TD-DFT Study of the Low-Lying Excited States of eta~5-CpMn(CO)~3
Full, J. / Gonzalez, L. / Daniel, C. | 2001
190
CASSCF Investigation of Electronic Excited States of 2-Aminopurine
Rachofsky, Edward L. / Ross, J. B. Alexander / Krauss, Morris / Osman, Roman | 2001
198
Effective Group Potentials. 1. Method
Poteau, Romuald / Ortega, Ivan / Alary, Fabienne / Solis, Alejandro Ramirez / Barthelat, Jean-Claude / Daudey, Jean-Pierre | 2001
206
Effective Group Potentials. 2. Extraction and Transferability for Chemical Groups Involved in Covalent or Donor−Acceptor Bonds
Poteau, Romuald / Alary, Fabienne / Abou El Makarim, Hassna / Heully, Jean-Louis / Barthelat, Jean-Claude / Daudey, Jean-Pierre | 2001
215
Computational Studies on the Reaction Pathways of CF3Br with O(1D,3P) Atoms
Zhang, Luning / Qin, Qi-zong | 2001
219
Spectroscopic and Theoretical Determination of the Electronic Structure of Thiazyl Chains and Extrapolation to Poly(sulfur nitride), (SN)x:  A Contribution to the Study of Conducting Polymers
Modelli, Alberto / Venuti, Marco / Scagnolari, Francesco / Contento, Michele / Jones, Derek | 2001
227
On Comparison of Experimental Thermochemical Data with G3 Theory
Curtiss, Larry A. / Raghavachari, Krishnan / Redfern, Paul C. / Kedziora, Gary S. / Pople, John A. | 2001
229
A Theoretical Study of the2NCO +2OH Reaction
Campomanes, Pablo / Menéndez, Isabel / Sordo, Tomás L. | 2001
238
Calculated and Experimental Geometries and Infrared Spectra of Metal Tris-Acetylacetonates:  Vibrational Spectroscopy as a Probe of Molecular Structure for Ionic Complexes. Part I
Diaz-Acosta, Irina / Baker, Jon / Cordes, Wallace / Pulay, Peter | 2001
245
Theoretical Study on the Structures and Energies of Acetic Acid Dimers in Aqueous Solution
Nakabayashi, Takakazu / Sato, Hirofumi / Hirata, Fumio / Nishi, Nobuyuki | 2001
251
Methodologies for Computational Studies of Quininoidal Diiminediyls:  Biradical vs Dinitrene Behavior
Lahti, Paul M. / Ichimura, Andrew S. / Sanborn, Jon A. | 2001
261
Structure and Stability of Boron Nitrides:  The Crossover between Rings and Cages
Strout, Douglas L. | 2001
264
Reactions in the Al−H−Cl System Studied by ab Initio Molecular Orbital and Density Functional Methods
Swihart, Mark T. / Catoire, Laurent | 2001
274
First Principles Calculation of pKaValues for 5-Substituted Uracils
Jang, Yun Hee / Sowers, Lawrence C. / Çaǧin, Tahir / Goddard, William A. | 2001
281
Absolute O~2(a^1Delta) Concentration Measurement in Singlet Oxygen Generator by Using the Piston Source Method
Duo, L. / Cui, T. / Wang, Z. / Chen, W. / Yang, B. / Sang, F. | 2001
281
Absolute O2(a1Δ) Concentration Measurement in Singlet Oxygen Generator by Using the Piston Source Method
Duo, Liping / Cui, Tieji / Wang, Zengqiang / Chen, Wenwu / Yang, Bailing / Sang, Fengting | 2001
285
The Photochemistry ofcis-ortho-,meta-, andpara-Aminostilbenes
Lewis, Frederick D. / Kalgutkar, Rajdeep S. | 2001
292
Are the Hydrophobic AsPh4+and BPh4-Ions Equally Solvated? A Theoretical Investigation in Aqueous and Nonaqueous Solutions Using Different Charge Distributions
Schurhammer, R. / Wipff, G. | 2001
293
The effective fragment potential method: A QM-based MM approached to modeling environmental effects in chemistry
Gordon, M. S. / Freitag, M. A. / Bandyopadhyay, P. / Jensen, J. H. / Kairys, V. / Stevens, W. J. | 2001
293
The Effective Fragment Potential Method:  A QM-Based MM Approach to Modeling Environmental Effects in Chemistry
Gordon, Mark S. / Freitag, Mark A. / Bandyopadhyay, Pradipta / Jensen, Jan H. / Kairys, Visvaldas / Stevens, Walter J. | 2001
308
Investigation of CO2/Fluorine Interactions through the Intermolecular Effects on the1H and19F Shielding of CH3F and CHF3at Various Temperatures and Pressures
Yonker, Clement R. / Palmer, Bruce J. | 2001
315
Photodissociation of Partially Fluorinated Alkyl Iodides in Their A-Band
Kavita, K. / Das, Puspendu K. | 2001
319
NO (v‘ ‘ = 0) Rotational Distributions from the Photodissociation of Organometallic Nitrosyls in the Charge Transfer Region
Bartz, Jeffrey A. / Odawara, Shino / Collier, Sarah A. / Meisel, Karl M. / Burke, Kevin P. / Cekola, James J. / Leroi, George E. | 2001
325
Solvent Dependence of Charge Separation and Charge Recombination Rates in Porphyrin−Fullerene Dyad
Imahori, Hiroshi / El-Khouly, Mohamed E. / Fujitsuka, Mamoru / Ito, Osamu / Sakata, Yoshiteru / Fukuzumi, Shunichi | 2001
333
Ultrafast Photodissociation Dynamics of Ni(CO)4
Fuss, W. / Schmid, W. E. / Trushin, S. A. | 2001
340
Direct Measurements of the Charge-Recombination Dynamics of Geminate Ion Pairs Formed upon Electron-Transfer Quenching at High Donor Concentration
Vauthey, Eric | 2001
349
Collision-Induced Dissociation of Nitrobenzene Molecular Cations at Low Energies by Crossed-Beam Tandem Mass Spectrometry
Chawla, Rahul / Shukla, Anil / Futrell, Jean | 2001
354
Photofragment Translational Spectroscopy of 1-Bromo-3-fluorobenzene and 1-Bromo-4-fluorobenzene at 266 nm
Gu, Xi-Bin / Wang, Guang-Jun / Huang, Jian-Hua / Han, Ke-Li / He, Guo-Zhong / Lou, Nan-Quan | 2001
363
Conformational Analysis, Barriers to Internal Rotation, ab Initio Calculations, and Vibrational Assignment of 4-Fluoro-1-butyne
Guirgis, Gamil A. / Zhu, Xiaodong / Bell, Stephen / Durig, James R. | 2001
374
Field Ionization of Aliphatic Ketones by Intense Femtosecond Laser
Wu, Chengyin / Xiong, Yijia / Ji, Na / He, Yong / Gao, Zhen / Kong, Fan'ao | 2001
378
Kinetic Study on Reactions of 1- and 2-Methylvinoxy Radicals with O2
Oguchi, Tatsuo / Miyoshi, Akira / Koshi, Mitsuo / Matsui, Hiroyuki / Washida, Nobuaki | 2001
383
Cyano, Amino, and Trifluoromethyl Substituent Effects on the Claisen Rearrangement
Aviyente, Viktorya / Houk, K. N. | 2001
392
Photodissociation of Nitric Oxide from Nitrosyl Metalloporphyrins in Micellar Solutions
Adachi, Haruna / Sonoki, Hirotaka / Hoshino, Mikio / Wakasa, Masanobu / Hayashi, Hisaharu / Miyazaki, Yoshio | 2001
399
Elementary Processes in Photoinduced Proton Transfers in 2-Hydroxy-1-(N-morpholinomethyl)naphthalene and 7-Hydroxy-8-(N-morpholinomethyl)quinoline in Liquid Solutions
de Bekker, Erik J. A. / Pugzlys, Audrius / Varma, Cyril A. G. O. | 2001
410
Effects of Noise and Coupling on the Spatiotemporal Dynamics in a Linear Array of Coupled Chemical Reactors
Zhong, Shi / Xin, Houwen | 2001
416
g- and A-Tensor Calculations in the Zero-Order Approximation for Relativistic Effects of Ni Complexes Ni(mnt)~2^- and Ni(CO)~3H as Model Complexes for the Active Center of [NiFe]-Hydrogenase
Stein, M. / van Lenthe, E. / Baerends, E. J. / Lubitz, W. | 2001
416
g- andA-Tensor Calculations in the Zero-Order Approximation for Relativistic Effects of Ni Complexes and Ni(CO)3H as Model Complexes for the Active Center of [NiFe]-Hydrogenase
Stein, Matthias / van Lenthe, Erik / Baerends, Evert J. / Lubitz, Wolfgang | 2001
426
Quantum Chemistry Investigation on the Dihydrogen Bond between Silicane and Ammonium
Zhu, Wei-Liang / Puah, Chum Mok / Tan, Xiao-Jian / Jiang, Hua-Liang / Chen, Kai-Xian | 2001
432
A Gaussian-2 and Gaussian-3 Study of Alkoxide Anion Decompositions. 1. H2and CH4Eliminations of the Methoxide, Ethoxide, Isopropoxide, andtert-Butoxide Anions
Chiu, S.-W. / Lau, Justin Kai-Chi / Li, Wai-Kee | 2001
442
Correlation between Energy, Polarizability, and Hardness Profiles in the Isomerization Reaction of HNO and CINO
Sicilia, E. / Russo, N. / Mineva, T. | 2001
442
Correlation between Energy, Polarizability, and Hardness Profiles in the Isomerization Reaction of HNO and ClNO
Sicilia, E. / Russo, N. / Mineva, T. | 2001
451
Excitation Energies from Time-Dependent Density Functional Theory for Linear Polyene Oligomers:  Butadiene to Decapentaene
Hsu, Chao-Ping / Hirata, So / Head-Gordon, Martin | 2001
459
Quantum Thermal Annealing with Renormalization:  Application to a Frustrated Model Protein
Lee, Yong-Han / Berne, B. J. | 2001
465
Tetrazane:  Hartree−Fock, Gaussian-2 and -3, and Complete Basis Set Predictions of Some Thermochemical Properties of N4H6
Ball, David W. | 2001
471
Theoretical Study of OH−O2−Isoprene Peroxy Radicals
Lei, Wenfang / Zhang, Renyi / McGivern, W. Sean / Derecskei-Kovacs, Agnes / North, Simon W. | 2001
478
Theoretical Calculations on the NCCP Potential Energy Surface
Kwon, Ohyun / McKee, Michael L. | 2001
484
Dipole Moments of Partially Bound Lewis Acid−Base Adducts
Fiacco, D. L. / Mo, Y. / Hunt, S. W. / Ott, M. E. / Roberts, A. / Leopold, K. R. | 2001
494
Ab Initio Characterization of the Structure, Vibrational, and Energetic Properties of Br-·HOCl, Cl-·HOBr, and Br-·HOBr Anionic Complexes
Flowers, Bradley A. / Francisco, Joseph S. | 2001
501
Conformations and Thermodynamic Properties of Sulfur Homocycles. 1. The S5, S6, S7, and S8Molecules
Cioslowski, Jerzy / Szarecka, Agnieszka / Moncrieff, David | 2001
506
A Born−Oppenheimer Ab Initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulation on Preferential Solvation of Na+in Aqueous Ammonia Solution
Tongraar, Anan / Rode, Bernd Michael | 2001
511
Chemical Reactivity and Selectivity:  Local HSAB Principle versus Frontier Orbital Theory
Chattaraj, P. K. | 2001
514
Decimated Signal Diagonalization for Fourier Transform Spectroscopy
Belkić, Dž. / Dando, P. A. / Main, J. | 2001
515
Water Dimers in the Atmosphere:  Equilibrium Constant for Water Dimerization from the VRT(ASP-W) Potential Surface
Goldman, Nir / Fellers, Raymond S. / Leforestier, Claude / Saykally, Richard J. | 2001
520
A Study of Excimer Emission in Solutions of Poly(9,9-dioctylfluorene) Using Electrogenerated Chemiluminescence
Prieto, Inmaculada / Teetsov, Julie / Fox, Marye Anne / Vanden Bout, David A. / Bard, Allen J. | 2001
524
Electron Affinities of Polycyclic Aromatic Hydrocarbons
Rienstra-Kiracofe, Jonathan C. / Barden, Christopher J. / Brown, Shawn T. / Schaefer, Henry F. | 2001
529
On the Multielectron Dissociative Ionization of Some Cyclic Aromatic Molecules Induced by Strong Laser Fields
Tzallas, P. / Kosmidis, C. / Ledingham, K. W. D. / Singhal, R. P. / McCanny, T. / Graham, P. / Hankin, S. M. / Taday, P. F. / Langley, A. J. | 2001
537
Application of Time-Resolved Linear Dichroism Spectroscopy:  Relaxation of Excited Hexamethylbenzene/1,2,4,5-Tetracyanobenzene Charge-Transfer Complexes
Arnold, Bradley R. / Schill, Alexander W. / Poliakov, Pavel V. | 2001
544
Conformational Preferences of Neurotransmitters:  Ephedrine and Its Diastereoisomer, Pseudoephedrine
Butz, Patrick / Kroemer, Romano T. / Macleod, Neil A. / Simons, John P. | 2001
552
Photodetachment Imaging Studies of the Electron Affinity of CF3
Deyerl, Hans-Jürgen / Alconcel, Leah S. / Continetti, Robert E. | 2001
558
Solvent Effects on Solute Electronic Structure and Properties:  Theoretical Study of a Betaine Dye Molecule in Polar Solvents
Ishida, Tateki / Rossky, Peter J. | 2001
566
Fluorescence Quenching by Oxygen of 9,10-Dimethylanthracene in Liquid and Supercritical Carbon Dioxide
Okamoto, Masami / Wada, Oh / Tanaka, Fujio / Hirayama, Satoshi | 2001
573
Kinetic Study of the Reactions of Br with HO2and DO2
Bedjanian, Yuri / Riffault, Véronique / Le Bras, Georges / Poulet, Gilles | 2001
579
A Comparison of the Thermal Decomposition of Nitramines and Difluoramines
Oxley, J. C. / Smith, J. L. / Zhang, J. / Bedford, C. | 2001
591
Quantum Chemical Study of the Thermodynamic and Kinetic Aspects of the SN2 Reaction in Gas Phase and Solution Using a DFT Interpretation
Safi, B. / Choho, K. / Geerlings, P. | 2001
602
Theoretical Estimation of Lithium Isotopic Reduced Partition Function Ratio for Lithium Ions in Aqueous Solution
Yamaji, Kazuyo / Makita, Yoji / Watanabe, Hidekazu / Sonoda, Akinari / Kanoh, Hirofumi / Hirotsu, Takahiro / Ooi, Kenta | 2001
614
Pulsed EPR and Ab Initio Calculation on [Ni(CN)4]3-in NaCl and KCl Host Lattices
Leitão, A. A. / Coelho Neto, J. A. / Pinhal, N. M. / Bielschowsky, C. E. / Vugman, N. V. | 2001
620
Performance of DFT for29Si NMR Chemical Shifts of Silanes
Heine, Thomas / Goursot, Annick / Seifert, Gotthard / Weber, Jacques | 2001
627
MRD-CI Characterization of Electronic Spectra of Isoelectronic Species C6-, NC4N+, and CNC3N+
Cao, Zexing / Peyerimhoff, Sigrid D. | 2001
632
The Anti-Hydrogen Bond in AromaticN-Sulfinylamines with Ortho H Atoms
Muchall, Heidi M. | 2001
637
Actinyl Ions in Cs2UO2Cl4
Matsika, Spiridoula / Pitzer, Russell M. | 2001
646
Using Kohn−Sham Orbitals in Symmetry-Adapted Perturbation Theory to Investigate Intermolecular Interactions
Williams, Hayes L. / Chabalowski, Cary F. | 2001
660
Comparison of ab Initio Hartree−Fock and Kohn−Sham Orbitals in the Calculation of Atomic Charge, Bond Index, and Valence
Kar, Tapas / Ángyán, János G. / Sannigrahi, A. B. | 2001
661
Formation and Characterization of Long-Lived Negative Molecular Ions of C60H18
Vasil'ev, Yury V. / Absalimov, Rinat R. / Nasibullaev, Shamil' K. / Lobach, Anatolii S. / Drewello, Thomas | 2001
666
Differential Pulse and Chronoamperometric Studies of Insonated Systems:  Acoustic Streaming and Cavitational Effects
Del Campo, F. Javier / Melville, James / Hardcastle, Joanna L. / Compton, Richard G. | 2001
675
Photophysical and Photochemical Properties of C120O, a C60Dimer Linked by a Saturated Furan Ring
Fujitsuka, Mamoru / Takahashi, Hideyuki / Kudo, Toshiji / Tohji, Kazuyuki / Kasuya, Atsuo / Ito, Osamu | 2001
681
The Acetylene Bending Spectrum at ∼10000 cm-1:  Quantum Assignments in the Midst of Classical Chaos
Jung, Christof / Taylor, Howard S. / Jacobson, Matthew P. | 2001
694
HBr Uptake on Ice:  Uptake Coefficient, H2O/HBr Hydrate Formation, and H2O Desorption Kinetics
Hudson, P. K. / Foster, K. L. / Tolbert, M. A. / George, S. M. / Carlo, S. R. / Grassian, V. H. | 2001
703
Ion Mobilities in Supercritical Ethane, Xenon, and Carbon Dioxide
Itoh, Kengo / Holroyd, Richard A. / Nishikawa, Masaru | 2001
710
A Study of Silver (I) Ion−Organonitrile Complexes:  Ion Structures, Binding Energies, and Substituent Effects
Shoeib, Tamer / El Aribi, Houssain / Siu, K. W. Michael / Hopkinson, Alan C. | 2001
720
Classical and Quantum Mechanical Studies of Crystalline Ammonium Nitrate
Sorescu, Dan C. / Thompson, Donald L. | 2001
734
Molecular Simulation of Sucrose Solutions near the Glass Transition Temperature
Ekdawi-Sever, Nancy C. / Conrad, Paul B. / de Pablo, Juan J. | 2001
743
Molecular Complexes between Silicon Derivatives and Electron-Rich Groups
Alkorta, Ibon / Rozas, Isabel / Elguero, José | 2001
750
Proton Affinity of Peroxyacetyl Nitrate (PAN)
Miller, Charles E. / Francisco, Joseph S. | 2001
755
Theoretical Investigation of Scandium Carbide, ScC
Kalemos, Apostolos / Mavridis, Aristides / Harrison, James F. | 2001
760
A Solid-State93Nb and19F NMR Spectroscopy and X-ray Diffraction Study of Potassium Heptafluoroniobate(V):  Characterization of93Nb,19F Coupling, and Fluorine Motion
Du, Lin-Shu / Schurko, Robert W. / Lim, Kwang Hun / Grey, Clare P. | 2001
769
The Origin of the Cation/π Interaction:  The Significant Importance of the Induction in Li+and Na+Complexes
Tsuzuki, Seiji / Yoshida, Masaru / Uchimaru, Tadafumi / Mikami, Masuhiro | 2001
769
The Origin of the Cation/pi Interaction: The Significant Importance of the Induction in Li^+ and Na^+ Complexes
Tsuzuki, S. / Yoshida, M. / Uchimaru, T. / Mikami, M. | 2001
774
C(sp2)−C(Aryl) Bond Rotation Barrier inN-Methylbenzamide
Vargas, Rubicelia / Garza, Jorge / Dixon, David / Hay, Benjamin P. | 2001
779
Fluorofluoroxydioxirane and Other CF2O3Isomers
Song, Jie / Khait, Yuriy G. / Hoffmann, Mark R. | 2001
791
Theoretical Analysis of Complementary Molecular Memory Devices
Seminario, Jorge M. / Zacarias, Angelica G. / Derosa, Pedro A. | 2001
796
Vibrational Energy Transfer Modeling of Nonequilibrium Polyatomic Reaction Systems
Barker, John R. / Yoder, Laurie M. / King, Keith D. | 2001
810
Anomalous Fluorescence of Terrylene in Neon Matrix
Deperasińska, I. / Kozankiewicz, B. / Biktchantaev, I. / Sepioł, J. | 2001
815
Rate Constants for the Gas-Phase Reactions of Ozone with Isoprene, α- and β-Pinene, and Limonene as a Function of Temperature
Khamaganov, Victor G. / Hites, Ronald A. | 2001
815
Rate Constants for the Gas-Phase Reactions of Ozone with Isoprene, alpha- and beta-Pinene, and Limonene as a Function of Temperature
Khamaganov, V. G. / Hites, R. A. | 2001
823
Excited State Isomerization Kinetics of 4-(Methanol)Stilbene:  Application of the Isodielectric Kramers−Hubbard Analysis
Wiemers, Kathy L. / Kauffman, John F. | 2001
829
A New pH Oscillator:  The Chlorite−Sulfite−Sulfuric Acid System in a CSTR
Frerichs, Glen A. / Mlnarik, Tara M. / Grun, Robert J. / Thompson, Richard C. | 2001
838
How the Fourteen Most Stable CH4P2Isomers InterconvertAn ab Initio/NMR Study
Dransfeld, Alk / Landuyt, Luc / Flock, Michaela / Nguyen, Minh Tho / Vanquickenborne, Luc G. | 2001
849
Theoretical Study of Indium Compounds of Interest for Organometallic Chemical Vapor Deposition
Cardelino, B. H. / Moore, C. E. / Cardelino, C. A. / Frazier, D. O. / Bachmann, K. J. | 2001
869
Ab Initio Study of Possible and Preferred Basic Site(s) in PolyfunctionalN1,N1-Dimethyl-N2-cyanoformamidine
Makowski, Mariusz / Raczyńska, Ewa D. / Chmurzyński, Lech | 2001
875
Direct Characterization of Radical Species Generated on One-Electron Oxidation of 3,6-Diamino-10-methylacridan
Marcinek, A. / Zielonka, J. / Adamus, J. / Gȩbicki, J. / Platz, Matthew S. | 2001
880
Toward a Density-Based Representation of Reactivity:  SN2 Reaction
Knoerr, Erika H. / Eberhart, M. E. | 2001
885
Absorption Spectra of Several Metal Complexes Revisited by the Time-Dependent Density-Functional Theory-Response Theory Formalism
Boulet, P. / Chermette, H. / Daul, C. / Gilardoni, F. / Rogemond, F. / Weber, J. / Zuber, G. | 2001
895
Benchmark ab Initio Energy Profiles for the Gas-Phase SN2 Reactions Y-+ CH3X → CH3Y + X-(X,Y = F,Cl,Br). Validation of Hybrid DFT Methods
Parthiban, Srinivasan / de Oliveira, Glênisson / Martin, Jan M. L. | 2001
905
An ab Initio and Raman Investigation of Sulfate Ion Hydration
Pye, Cory C. / Rudolph, Wolfram W. | 2001
913
Density Functional Calculations of Methyllithium,t-Butyllithium, and Phenyllithium Oligomers:  Effect of Hyperconjugation on Conformation
Kwon, Ohyun / Sevin, Fatma / McKee, Michael L. | 2001
923
TheTrans-Bent Structures of the Acetylene and Methylacetylene Radical Anions
Huang, Ming-Bao / Liu, Yajun | 2001
930
What Parameters Determine N−N and O−O Coupling Constants (2hJX-X) Across X−H+−X Hydrogen Bonds?
Del Bene, Janet E. / Perera, S. Ajith / Bartlett, Rodney J. | 2001
935
Calculation of the Structures, Stabilities, and Properties of Mercury Sulfide Species in Aqueous Solution
Tossell, J. A. | 2001
942
Ground-State Proton Transfer Tautomer of Al(III)−Salicylate Complexes in Ethanol Solution
Wang, Z. / Friedrich, D. M. / Ainsworth, C. C. / Hemmer, S. L. / Joly, A. G. / Beversluis, M. R. | 2001
951
Temperature Effects in Transition Metal Ion and Cluster Ion Reactions
Bondybey, Vladimir E. / Beyer, Martin K. | 2001
961
S0, S1, and Ion I0Binding Energies of the p-Methoxyphenethylamine(H2O)1-4Complexes
Fernández, Jose A. / Unamuno, Iñigo / Longarte, Asier / Castaño, Fernando | 2001
969
Energetics of the Gas Phase Hydrates oftrans-Formanilide: A Microscopic Approach to the Hydration Sites of the Peptide Bond
Mons, Michel / Dimicoli, Iliana / Tardivel, Benjamin / Piuzzi, François / Robertson, Evan G. / Simons, John P. | 2001
974
Infrared Spectra of Large H2O Clusters:  New Understanding of the Elusive Bending Mode of Ice
Devlin, J. Paul / Sadlej, Joanna / Buch, Victoria | 2001
984
A Determination of the Structure of the Intramolecular Charge Transfer State of 4-Dimethylaminobenzonitrile (DMABN) by Time-Resolved Resonance Raman Spectroscopy
Kwok, W. M. / Ma, C. / Matousek, P. / Parker, A. W. / Phillips, D. / Toner, W. T. / Towrie, M. / Umapathy, S. | 2001
991
Temperature, Pressure and Solvent Dependence of Positronium Reactivity toward Nitrobenzene
Gangopadhyay, Debarshi / Sanyal, D. / Ganguly, Bichitra Nandi / Mukherjee, Tapas / Kumar, Sanjay / Banerjee, D. / Dutta-Roy, Binayak / Bhattacharya, Rangalal | 2001
995
Nitrobenzene Isomers
Polášek, Miroslav / Tureček, František / Gerbaux, Pascal / Flammang, Robert | 2001
1011
A Fourier Transform Ion Cyclotron Resonance Study of theTemperature and Isotope Effects on the Kinetics of Low-Pressure Association Reactions of Protonated Dimethyl Ether with Dimethyl Ether
Fridgen, Travis D. / McMahon, Terry B. | 2001
1020
Alkyl Nitrate, Hydroxyalkyl Nitrate, and Hydroxycarbonyl Formation from the NOx−Air Photooxidations of C5−C8n-Alkanes
Arey, Janet / Aschmann, Sara M. / Kwok, Eric S. C. / Atkinson, Roger | 2001
1028
Direct Experimental Evidence for Reactions between Dissolved Acid Halide and Chlorine Nitrate
Gilligan, J. J. / Castleman, A. W. | 2001
1033
Dipole-Bound Anions of Adenine−Water Clusters. Ab Initio Study
Jalbout, A. F. / Adamowicz, L. | 2001
1039
Gas-Phase Conformations of 3-Buten-2-ol from Density-Functional Theoretical Results Together with Electron-Diffraction and Vibrational Spectroscopic Data
Shishkov, I. F. / Shlykov, S. / Rousseau, B. / Peng, Z. H. / Van Alsenoy, C. / Geise, H. J. / Kataeva, O. N. / Herrebout, W. A. / Van der Veken, B. | 2001
1050
Conformational Preferences of Neurotransmitters:  Norephedrine and the Adrenaline Analogue, 2-Methylamino-1-phenylethanol
Butz, Patrick / Kroemer, Romano T. / Macleod, Neil A. / Robertson, Evan G. / Simons, John P. | 2001
1057
Coupling of Large-Amplitude Side Chain Motions to the Excited-State H-Atom Transfer of Perylene Quinones:  Application of Theory and Experiment to Calphostin C
Datta, Anindya / Bandyopadhyay, Pradipta / Wen, Jin / Petrich, Jacob W. / Gordon, Mark S. | 2001
1061
Ab Initio Studies on the Mechanism of Tyrosine Coupling
Shamovsky, Igor L. / Riopelle, Richard J. / Ross, Gregory M. | 2001
1071
Dipole-Bound Anions to Adenine−Imidazole Complex. Ab Initio Study
Jalbout, A. F. / Adamowicz, L. | 2001
1074
Structure, Disorder, and Molecular Dynamics in Zn(d,l-histidine)2:  EPR of Copper Ion Dopants, X-ray Diffraction, and Calorimetric Studies
Dalosto, Sergio D. / Calvo, Rafael / Pizarro, José L. / Arriortua, María I. | 2001
1086
Intrinsic and Environmental Effects on the Kinetic and Thermodynamics of Linkage Isomerization in Nitritopentaamminecobalt(III) Complex
Ciofini, Ilaria / Adamo, Carlo | 2001
1093
Comparison of the Activation Free Energies for Viscous Flow and for Diffusion in Dilute Solutions, Derivation of the Expression for the Effect of the Solute on the Activation Free Energy of Diffusion of the Solvent, and Application to Solutions ofN,N-Dimethylformamide in Water, Methanol, and Acetonitrile
Hickey, Kenneth / Waghorne, W. Earle / Sacco, Antonio | 2001
1097
Unusual Photophysical Properties of Coumarin-151
Nad, Sanjukta / Pal, Haridas | 2001
1107
Photoreactivity of Cr(CO)4(2,2‘-Bipyridine): Quantum Chemistry and Photodissociation Dynamics
Guillaumont, Dominique / Vlček,, Antonin / Daniel, Chantal | 2001
1115
H-Atom Product Channels in the Photodissociation of CH3Cl, CH3Br, and CH3I at 121.6 nm
Amaral, Gabriel / Xu, Kesheng / Zhang, Jingsong | 2001
1121
Crystal Structure of Magnesiumphthalocyanine and Its Polarized Reflection Spectra
Mizuguchi, J. | 2001
1125
Electronic Characterization of 1-Keto-4-thioketo-3,6-diphenylpyrrolo[3,4-c]pyrrole in Solution and in the Solid State
Mizuguchi, J. | 2001
1131
Structural Characterization of 9-Cyanoanthracene−(Ar)n(n= 0−3) by Rotational Coherence Spectroscopy
Egashira, Kazuhiro / Ohshima, Yasuhiro / Kajimoto, Okitsugu | 2001
1140
Isomers of C70Dimer
Heine, T. / Zerbetto, F. / Seifert, G. / Fowler, P. W. | 2001
1144
Ionization of Atmospheric Gases Containing Ozone and Carbonyl Sulfide. Formation and Reactivity of SO+Ions
Cacace, Fulvio / de Petris, Giulia / Rosi, Marzio / Troiani, Anna | 2001
1150
Reactivities ofd-Mannitol and Related Alcohols toward Chromium(VI) and Chromium(IV)
Perez-Benito, Joaquin F. / Arias, Conchita / Rodriguez, Rosa M. | 2001
1158
Laser Flash Photolysis Studies of the Reaction of Arylhalocarbenes with Tetramethylethylene as a Function of Solvent
Çelebi, Sol / Tsao, Meng-Lin / Platz, Matthew S. | 2001
1163
Long Range pi-Type Hydrogen Bond in the Dimers (HF)~2, (H~2O)~2, and H~2O-HF
Zhi-Ru, L. / Di, W. / Ze-Sheng, L. / Xu-Ri, H. / Tao, F.-M. / Chia-Chung, S. | 2001
1163
Long Range π-Type Hydrogen Bond in the Dimers (HF)2, (H2O)2, and H2O−HF
Zhi-Ru, Li / Di, Wu / Ze-Sheng, Li / Xu-Ri, Huang / Tao, Fu-Ming / Chia-Chung, Sun | 2001
1169
Ab Initio Study of the Crystallographic Solvation Pattern of the Cytosine-Guanine Base Pair in DNA
Moroni, Federico / Famulari, Antonino / Raimondi, Mario | 2001
1175
First-Principles Investigation of the Boron and Aluminum Carbides BC and AlC and Their Anions BC-and AlC-. 1
Tzeli, Demeter / Mavridis, Aristides | 2001
1185
Reaction Pathways of Singlet Silylene and Singlet Germylene with Water, Methanol, Ethanol, Dimethyl Ether, and Trifluoromethanol:  An ab Initio Molecular Orbital Study
Heaven, Michael W. / Metha, Gregory F. / Buntine, Mark. A. | 2001
1197
Hoogsteen and Stacked Structures of the 9-Methyladenine···1-Methylthymine Pair Are Populated Equally at Experimental Conditions:  Ab Initio and Molecular Dynamics Study
Ryjáček, Filip / Engkvist, Ola / Vacek, Jaroslav / Kratochvíl, Martin / Hobza, Pavel | 2001
1203
A Quantum Chemical Theoretical Study of Decomposition Pathways of N9(C2v) and N9+(C2v) Clusters
Li, Qian Shu / Wang, Li Jie | 2001
1208
Ionic Dissociation of Perchloric Acid in Microsolvated Clusters
Weber, Kevin H. / Tao, Fu-Ming | 2001
1214
Energy Transfer to the Low-Energy Triplet States of 1,3-Dicarbonylazomethine Dyes:  The Role of Unique Geometries and Nonadiabatic Behavior
Abu-Hasanayn, Faraj / Herkstroeter, William G. | 2001
1223
Comment to the Moudrakovski et al. Letter, “Hydrate Layers on Ice Particles and Superheated Ice:  A1H NMR Microimaging Study”
Stern, Laura A. / Kirby, Stephen H. / Durham, William B. | 2001
1225
ToThe Journal of Physical ChemistryAuthors and Reviewers
| 2001
1226
Formation of CH3CFCl+from Photoionization of CH3CFCl2:  An Application of Threshold Photoelectron Photoion Coincidence (TPEPICO) Technique
Chiang, Su-Yu / Lee, Yu-Chang / Lee, Yuan-Pern | 2001
1232
Diffusion of Aromatic Hydrocarbons inn-Alkanes and Cyclohexanes
Kowert, Bruce A. / Dang, Nhan C. / Sobush, Kurtis T. / Seele, Louis G. | 2001
1238
Ultrafast Energy Equilibration in Hydrogen-Bonded Liquids
Lock, A. J. / Woutersen, S. / Bakker, H. J. | 2001
1244
Gas-Phase Spectroscopy of the Unstable AcetonitrileN-Oxide Molecule, CH3CNO
Pasinszki, Tibor / Westwood, Nicholas P. C. | 2001
1254
Valence Orbital Electron Momentum Spectroscopy For N2O
Wang, Feng / Brunger, Michael J. / Larkins, Frank P. | 2001
1260
Collision Energy Dependence on the Microsolvated SN2 Reaction of F-(H2O) with CH3Cl:  A Full Dimensional Ab Initio Direct Dynamics Study
Tachikawa, Hiroto | 2001
1267
A Confined Electron Spherical Void Model in Sonoluminescence
Liu, Zhongzhu / Yu, Liangying / Luo, Jun | 2001
1270
Factors Affecting the Rate of Decay of the First Excited Singlet State of Molecular Oxygen O~2(a^1Delta~g) in Supercritical Fluid Carbon Dioxide
Worrall, D. R. / Abdel-Shafi, A. A. / Wilkinson, F. | 2001
1270
Factors Affecting the Rate of Decay of the First Excited Singlet State of Molecular Oxygen O2(a1Δg) in Supercritical Fluid Carbon Dioxide
Worrall, David R. / Abdel-Shafi, Ayman A. / Wilkinson, Francis | 2001
1277
Determination of the Equilibrium Constant and Thermodynamic Parameters for the Reaction of Pentadienyl Radicals with O2
Zils, Régis / Inomata, Satoshi / Imamura, Takashi / Miyoshi, Akira / Washida, Nobuaki | 2001
1283
Molecular Dynamics Simulation Study of the Influence of Conformation on the Solvation Thermodynamics of 1,2-Dimethoxyethane and 1,2-Dimethoxypropane in Aqueous Solution
Smith, Grant D. / Bedrov, Dmitry | 2001
1288
Theoretical Study of Tautomeric Forms of Uracil. 1. Relative Order of Stabilities and Their Relation to Proton Affinities and Deprotonation Enthalpies
Kryachko, Eugene S. / Nguyen, Minh Tho / Zeegers-Huyskens, Thérèse | 2001
1296
Theoretical Studies of Competing Reaction Pathways and Energy Barriers for Alkaline Ester Hydrolysis of Cocaine
Zhan, Chang-Guo / Landry, Donald W. | 2001
1302
Mechanism for Unimolecular Decomposition of HMX (1,3,5,7-Tetranitro-1,3,5,7-tetrazocine), an ab Initio Study
Chakraborty, Debashis / Muller, Richard P. / Dasgupta, Siddharth / Goddard, William A. | 2001
1315
Binding Energy in and Equilibrium Constant of Formation for the Dodecahedrane Compounds He@C20H20and Ne@C20H20
Jiménez-Vázquez, Hugo A. / Tamariz, Joaquín / Cross, R. James | 2001
1320
Bonding of α-Dicarbonyls to Nickel:  Structural and Vibrational Analysis
Rochefort, Alain / McBreen, Peter | 2001
1320
Bonding of alpha-Dicarbonyls to Nickel: Structural and Vibrational Analysis
Rochefort, A. / McBreen, P. | 2001
1326
Quantum/Classical Mechanical Comparison of Cation-pi Interactions between Tetramethylammonium and Benzene
Felder, C. / Jiang, H.-L. / Zhu, W.-L. / Chen, K.-X. / Silman, I. / Botti, S. A. / Sussman, J. L. | 2001
1326
Quantum/Classical Mechanical Comparison of Cation−π Interactions between Tetramethylammonium and Benzene
Felder, Clifford / Jiang, Hua-Liang / Zhu, Wei-Liang / Chen, Kai-Xian / Silman, Israel / Botti, Simone A. / Sussman, Joel L. | 2001
1334
Ab Initio MCSCF Study on Eight pi-Electron Heterocyclic Conjugated Systems: Energy Component Analysis of the Pseudo-Jahn-Teller Distortion from Planarity
Toyota, A. / Shiota, M. / Nagae, Y. / Koseki, S. | 2001
1334
Ab Initio MCSCF Study on Eight π-Electron Heterocyclic Conjugated Systems:  Energy Component Analysis of the Pseudo-Jahn−Teller Distortion from Planarity
Toyota, Azumao / Shiota, Masahiro / Nagae, Yukihiko / Koseki, Shiro | 2001
1343
Internal Bond Rotation in Substituted Methyl Radicals, H2B−CH2, H3C−CH2, H2N−CH2, and HO−CH2:  Hardness Profiles
Uchimaru, Tadafumi / Chandra, Asit K. / Kawahara, Shun-ichi / Matsumura, Kazunari / Tsuzuki, Seiji / Mikami, Masuhiro | 2001
1354
State-Specific Brillouin−Wigner Multireference Coupled Cluster Study of the Singlet−Triplet Separation in the Tetramethyleneethane Diradical
Pittner, Jiří / Nachtigall, Petr / Čársky, Petr / Hubač, Ivan | 2001
1357
An ab Initio Study of Hydrogen Bonding Effects on the15N and1H Chemical Shielding Tensors in the Watson−Crick Base Pairs
Czernek, Jiří | 2001
1366
Simple Scheme To Evaluate Crystal Nonlinear Susceptibilities: Semiempirical AM1 Model Investigation of 3-Methyl-4-nitroaniline Crystal
Castet, Frédéric / Champagne, Benoît | 2001
1371
Nitromethyl Radical, Cation, and Anion. A Neutralization and Electron Photodetachment−Reionization Mass Spectrometric and ab Initio Computational Study of [C,H2,N,O2] Isomers
Polášek, Miroslav / Tureček, František | 2001
1383
A Study of Silver (I) Ion−Organonitrile Complexes:  Ion Structures, Binding Energies, and Substituent Effects %Pages 716 and 718. The captions to Figures 5, 6, and 9 do not match the artwork. These three figures should appear as
Shoeib, Tamer / El Aribi, Houssain / Hopkinson, Alan C. | 2001
1385
Introduction to Harold Johnston Festschrift
| 2001
1386
Cover Art Description,
| 2001
1388
Autobiographical Sketch of Harold Johnston
| 2001
1391
Biographical Notes of Harold Johnston
| 2001
1392
Coauthors of Harold Johnston
| 2001
1393
Bibliography of Harold Johnston,
| 2001
1411
Uptake of Methanol Vapor in Sulfuric Acid Solutions
Kane, Sean M. / Leu, Ming-Taun | 2001
1416
Temperature-Dependent Rate Coefficients for the Reactions of Br(2P3/2), Cl(2P3/2), and O(3PJ) with BrONO2
Soller, R. / Nicovich, J. M. / Wine, P. H. | 2001
1423
Kinetics of CH2ClO Radical Reactions with O2and NO, and the Unimolecular Elimination of HCl
Wu, Fuxiang / Carr, Robert W. | 2001
1433
Homogeneous Freezing of Concentrated Aqueous Nitric Acid Solutions at Polar Stratospheric Temperatures
Salcedo, Dara / Molina, Luisa T. / Molina, Mario J. | 2001
1440
Methylsulfonyl Radical Unimolecular Dissociation Studied by Deep-UV Ultrafast Photoionization Spectroscopy
Owrutsky, J. C. / Nelson, H. H. / Baronavski, A. P. | 2001
1445
Rates of Reaction for Cyclopropane and Difluoromethoxydifluoromethane with Hydroxyl Radicals
Wilson,, Edmond W. / Sawyer, Amber A. / Sawyer, Holly A. | 2001
1449
Assessing Effects of Rate Parameter Changes on Ozone Models Using Sensitivity Analysis
Smith, Gregory P. / Dubey, Manvendra K. / Kinnison, Douglas E. / Connell, Peter S. | 2001
1449
Assessing Effects of Rate Parameter Changes on Ozone Modules Using Sensitivity Analysis
Smith, G. P. / Dubey, M. K. / Kinnison, D. E. / Connell, P. S. | 2001
1456
Rate Constants for the Reactions of Chlorine Atoms with Deuterated Methanes:  Experiment and Theory
Boone, Gwen D. / Agyin, Frederick / Robichaud, David J. / Tao, Fu-Ming / Hewitt, Scott A. | 2001
1465
H + NO2Channels in the Photodissociation of HONO at 193.3 nm
Amaral, Gabriel / Xu, Kesheng / Zhang, Jingsong | 2001
1476
Relating State-Dependent Cross Sections to Non-Arrhenius Behavior for the Cl + CH4Reaction
Michelsen, Hope A. / Simpson, William R. | 2001
1489
Revisiting the Hammond Postulate:  The Role of Reactant and Product Ionic States in Regulating Barrier Heights, Locations, and Transition State Frequencies
Donahue, Neil M. | 2001
1498
Near-Field Influence on Barrier Evolution in Symmetric Atom Transfer Reactions:  A New Model for Two-State Mixing
Rypkema, Heather A. / Donahue, Neil M. / Anderson, James G. | 2001
1507
High-Pressure Flow Reactor Product Study of the Reactions of HOx+ NO2: The Role of Vibrationally Excited Intermediates
Dransfield, Timothy J. / Donahue, Neil M. / Anderson, James G. | 2001
1515
Constraining the Mechanism of OH + NO2Using Isotopically Labeled Reactants:  Experimental Evidence for HOONO Formation
Donahue, Neil M. / Mohrschladt, Ralf / Dransfield, Timothy J. / Anderson, James G. / Dubey, Manvendra K. | 2001
1521
The NOx−HNO3System in the Lower Stratosphere:  Insights from In Situ Measurements and Implications of theJHNO3−[OH] Relationship
Perkins, K. K. / Hanisco, T. F. / Cohen, R. C. / Koch, L. C. / Stimpfle, R. M. / Voss, P. B. / Bonne, G. P. / Lanzendorf, E. J. / Anderson, J. G. / Wennberg, P. O. et al. | 2001
1535
Establishing the Dependence of [HO2]/[OH] on Temperature, Halogen Loading, O3, and NOxBased on in Situ Measurements from the NASA ER-2
Lanzendorf, E. J. / Hanisco, T. F. / Wennberg, P. O. / Cohen, R. C. / Stimpfle, R. M. / Anderson, J. G. / Gao, R. S. / Margitan, J. J. / Bui, T. P. | 2001
1543
Sources, Sinks, and the Distribution of OH in the Lower Stratosphere
Hanisco, T. F. / Lanzendorf, E. J. / Wennberg, P. O. / Perkins, K. K. / Stimpfle, R. M. / Voss, P. B. / Anderson, J. G. / Cohen, R. C. / Fahey, D. W. / Gao, R. S. et al. | 2001
1554
Mechanism of HOxFormation in the Gas-Phase Ozone−Alkene Reaction. 1. Direct, Pressure-Dependent Measurements of Prompt OH Yields
Kroll, Jesse H. / Clarke, James S. / Donahue, Neil M. / Anderson, James G. | 2001
1561
Detailed Kinetic Study of the Growth of Small Polycyclic Aromatic Hydrocarbons. 1. 1-Naphthyl + Ethyne
Richter, Henning / Mazyar, Oleg A. / Sumathi, Raman / Green, William H. / Howard, Jack B. / Bozzelli, Joseph W. | 2001
1574
Reactions of NO+with Isomeric Butenes from 225 to 500 K
Midey, Anthony J. / Williams, Skip / Viggiano, A. A. | 2001
1579
Catalysis by NOxas the Main Cause of the Spring to Fall Stratospheric Ozone Decline in the Northern Hemisphere
Crutzen, Paul J. / Brühl, Christoph | 2001
1583
Rate Constant Measurements for the Reaction of HO2with O3from 200 to 300 K Using a Turbulent Flow Reactor
Herndon, Scott C. / Villalta, Peter W. / Nelson, David D. / Jayne, John T. / Zahniser, Mark S. | 2001
1592
NO2Quantum Yield from the 248 nm Photodissociation of Peroxynitric Acid (HO2NO2)
Roehl, Coleen M. / Mazely, Troy L. / Friedl, Randall R. / Li, Yumin / Francisco, Joseph S. / Sander, Stanley P. | 2001
1599
An ab Initio Study of the Kinetics of the Reactions of Halomethanes with the Hydroxyl Radical. 3. Kinetic Parameters Predictions for the Potential Halon Replacements CH2FBr, CHFBr2, CHFClBr, CHCl2Br, and CHClBr2
Louis, Florent / Gonzalez, Carlos A. / Huie, Robert E. / Kurylo, Michael J. | 2001
1605
Reaction of Hydroxyl Radical with Nitric Acid:  Insights into Its Mechanism
Brown, Steven S. / Burkholder, James B. / Talukdar, Ranajit K. / Ravishankara, A. R. | 2001
1615
Unimolecular Reaction Kinetics of CF2ClCF2CH3and CF2ClCF2CD3:  Experimental Evidence for a Novel 1,2-FCl Rearrangement Pathway
Burgin, Maria O. / Heard, George L. / Martell, Jaime M. / Holmes, Bert E. | 2001
1622
1,2-FCl Rearrangement as an Intermediate Step in the Unimolecular 1,3-HCl Elimination from Chlorofluoropropanes
Heard, George L. / Holmes, Bert E. | 2001
1626
Slowing and Speeding Molecular Beams by Means of a Rapidly Rotating Source
Gupta, Manish / Herschbach, Dudley | 2001
1638
Heat of Formation of OBrO:  Experimental Photoionization Study
Klemm, R. Bruce / Thorn, R. Peyton / Stief, Louis J. / Buckley, Thomas J. / Johnson, Russell D. | 2001
1643
Chemical Kinetics of the NaO (A ^2Sigma^+) + O(^3P) Reaction
Griffin, J. / Worsnop, D. R. / Brown, R. C. / Kolb, C. E. / Herschbach, D. R. | 2001
1643
Chemical Kinetics of the NaO (A2Σ+) + O(3P) Reaction
Griffin, J. / Worsnop, D. R. / Brown, R. C. / Kolb, C. E. / Herschbach, D. R. | 2001
1649
Surface Structural Studies of Methanesulfonic Acid at Air /Aqueous Solution Interfaces Using Vibrational Sum Frequency Spectroscopy
Allen, Heather C. / Raymond, Elizabeth A. / Richmond, Geraldine L. | 2001
1656
Oxygen Isotope Effects in the Oxidation of Methane to Carbon Monoxide
Weston, Ralph E. | 2001
1662
Symmetry Breaking and the Molecular Structure of NO3+
Miller, Charles E. / Francisco, Joseph S. | 2001
1669
Use of Quantum Methods with Transition State Theory:  Application to H-Atom Metathesis Reactions
Senosiain, Juan P. / Musgrave, Charles B. / Golden, David M. | 2001
1677
Direct Observation of Resonance Motion in Complex Elimination Reactions:  Femtosecond Coherent Dynamics in Reduced Space
Kötting, Carsten / Diau, Eric W.-G. / Baldwin, John E. / Zewail, Ahmed H. | 2001
1683
Ultrafast Surface Dynamics Studied with Femtosecond Sum Frequency Generation
Roke, Sylvie / Kleyn, Aart W. / Bonn, Mischa | 2001
1687
Femtosecond Fluorescence Anisotropy Studies of Solvation-Induced Intraligand Charge Transfer in Photoexcited Aluminum(III) Tris(8-hydroxyquinoline)
van Veldhoven, E. / Zhang, H. / Glasbeek, M. | 2001
1693
Evidence of a Double Surface Crossing between Open- and Closed-Shell Surfaces in the Photodissociation of Cyclopropyl Iodide
Arnold, Pamela A. / Cosofret, Bogdan R. / Dylewski, Scott M. / Houston, Paul L. / Carpenter, Barry K. | 2001
1702
Molecular Dynamics Simulations of Dimethyl Sulfoxide and Dimethyl Sulfoxide−Water Mixture
Vishnyakov, Aleksey / Lyubartsev, Alexander P. / Laaksonen, Aatto | 2001
1711
Map for the Relaxation Dynamics of Hot Photoelectrons Injected into Liquid Water via Anion Threshold Photodetachment and above Threshold Solvent Ionization
Vilchiz, Victor H. / Kloepfer, Jeremiah A. / Germaine, Amy C. / Lenchenkov, Victor A. / Bradforth, Stephen E. | 2001
1724
Solvent−Solute Interactions Probed by Picosecond Transient Raman Spectroscopy:  Vibrational Relaxation and Conformational Dynamics in S1trans-4,4‘-Diphenylstilbene
Leonard, James D. / Gustafson, Terry L. | 2001
1731
Excited-State Intramolecular Proton Transfer in 10-Hydroxybenzo[h]quinoline
Chou, Pi-Tai / Chen, Youn-Chan / Yu, Wei-Shan / Chou, Yi-Hsuan / Wei, Ching-Yen / Cheng, Yi-Ming | 2001
1741
Reaction Dynamics of a Photochromic Fluorescing Dithienylethene
Ern, J. / Bens, A. T. / Martin, H.-D. / Mukamel, S. / Tretiak, S. / Tsyganenko, K. / Kuldova, K. / Trommsdorff, H. P. / Kryschi, C. | 2001
1750
An Extremely Small Reorganization Energy of Electron Transfer in Porphyrin−Fullerene Dyad
Imahori, Hiroshi / Tkachenko, Nikolai V. / Vehmanen, Visa / Tamaki, Koichi / Lemmetyinen, Helge / Sakata, Yoshiteru / Fukuzumi, Shunichi | 2001
1757
Synthesis and Excited State Dynamics of mu-Oxo Group IV Metal Phthalocyanine Dimers: A Laser Photoexcitation Study
Pelliccioli, A. P. / Henbest, K. / Kwag, G. / Carvagno, T. R. / Kenney, M. E. / Rodgers, M. A. J. | 2001
1757
Synthesis and Excited State Dynamics of μ-Oxo Group IV Metal Phthalocyanine Dimers:  A Laser Photoexcitation Study
Pelliccioli, Anna Paola / Henbest, Kevin / Kwag, Gwanghoon / Carvagno, Terri R. / Kenney, Malcolm E. / Rodgers, Michael A. J. | 2001
1767
Time-Resolved Area-Normalized Emission Spectroscopy (TRANES):  A Novel Method for Confirming Emission from Two Excited States
Koti, A. S. R. / Krishna, M. M. G. / Periasamy, N. | 2001
1772
An Infrared and X-ray Absorption Study of the Equilibria and Structures of Chromate, Bichromate, and Dichromate in Ambient Aqueous Solutions
Hoffmann, Markus M. / Darab, John G. / Fulton, John L. | 2001
1783
Electronic Structures of Very Strong, Neutral Bases
Novak, Igor / Wei, Xuming / Chin, Wee Shong | 2001
1789
Solvation of Mg(ClO4)2in Deuterated Acetonitrile Studied by Means of Vibrational Spectroscopy
Cha, Jae-Nam / Cheong, Byeong-Seo / Cho, Han-Gook | 2001
1797
Quasiclassical Kinetics of the H2+ H2Reaction and Dissociation
Ceballos, A. / Garcia, E. / Rodriguez, A. / Laganà, A. | 2001
1805
Determination of Rate Constants of Formation of O2(1Σg+), O2(1Δg), and O2(3Σg-) in the Quenching of Triplet States by O2for Compounds with Incomplete Intersystem Crossing
Shafii, Farokh / Schmidt, Reinhard | 2001
1805
Determination of Rate Constants of Formation of O~2(^1Sigma~g^+), O~2(^1Delta~g), and O~2(^3Sigma~g^-) in the Quenching of Triplet States by O~2 for Compounds with Incomplete Intersystem Crossing
Shafii, F. / Schmidt, R. | 2001
1811
Charge-Transfer and Non-Charge-Transfer Processes Competing in the Sensitization of Singlet Oxygen:  Formation of O2(1Σg+), O2(1Δg), and O2(3Σg-) during Oxygen Quenching of Triplet Excited Naphthalene Derivatives
Schmidt, Reinhard / Shafii, Farokh / Schweitzer, Claude / Abdel-Shafi, Ayman A. / Wilkinson, Francis | 2001
1811
Charge-Transfer and Non-Charge-Transfer Processes Competing in the Sensitization of Singlet Oxygen: Formation of O~2(^1Sigma~g^+), O~2(^1Delta~g), and O~2(^3Sigma~g^-) during Oxygen Quenching of Triplet Excited Naphthalene Derivatives
Schmidt, R. / Shafii, F. / Schweitzer, C. / Abdel-Shafi, A. A. / Wilkinson, F. | 2001
1818
Observation of the Turnover between the Solvent Friction (Overdamped) and Tunneling (Nonadiabatic) Charge-Transfer Mechanisms for a Au/Fe(CN)63-/4-Electrode Process and Evidence for a Freezing Out of the Marcus Barrier
Khoshtariya, Dimitri E. / Dolidze, Tina D. / Zusman, Leonid D. / Waldeck, David H. | 2001
1830
Kinetic Study of the Mechanism of the Low-Temperature Pyrolysis of Vinyl Bromide
Laws, Patricia Ann / Hayley, Bradley D. / Anthony, Lori M. / Roscoe, John M. | 2001
1838
Infrared Spectroscopic Investigation of the Heterogeneous Reaction of HNO3and NaCl(100)
Sporleder, David / Ewing, George E. | 2001
1847
Ab Initio MO Study of the Triplet C3H4Potential Energy Surface and the Reaction of C(3Pj) with Ethylene, C2H4
Le, Trung Ngoc / Lee, Hwa-yu / Mebel, Alexander M. / Kaiser, Ralf I. | 2001
1857
Regioreversed Thermal and Photochemical Reduction of 10-Methylacridinium and 1-Methylquinolinium Ions by Organosilanes and Organostannanes
Fukuzumi, S. / Fujita, M. / Noura, S. / Ohkubo, K. / Suenobu, T. / Araki, Y. / Ito, O. | 2001
1857
Regioreversed Thermal and Photochemical Reduction of 10-Methylacridinium and 1-Methylquinolinium Ions by Organosilanes and Oraganostannanes
Fukuzumi, Shunichi / Fujita, Morifumi / Noura, Souta / Ohkubo, Kei / Suenobu, Tomoyoshi / Araki, Yasuyuki / Ito, Osamu | 2001
1869
A Combined Experimental and Theoretical Study of the Homogeneous, Unimolecular Decomposition Kinetics of 3-Chloropivalic Acid in the Gas Phase
Chuchani, G. / Rotinov, A. / Andres, J. / Domingo, L. R. / Safont, V. S. | 2001

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