A Gaussian-2 and Gaussian-3 Study of Alkoxide Anion Decompositions. 1. H~2 and CH~4 Eliminations of the Methoxide, Ethoxide, Isopropoxide, and tert-Butoxide Anions (Englisch)
- Neue Suche nach: Chiu, S.-W.
- Neue Suche nach: Lau, J. K.-C.
- Neue Suche nach: Li, W.-K.
- Neue Suche nach: Chiu, S.-W.
- Neue Suche nach: Lau, J. K.-C.
- Neue Suche nach: Li, W.-K.
In:
JOURNAL OF PHYSICAL CHEMISTRY A
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105
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432-441
;
2001
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ISSN:
- Aufsatz (Zeitschrift) / Print
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Titel:A Gaussian-2 and Gaussian-3 Study of Alkoxide Anion Decompositions. 1. H~2 and CH~4 Eliminations of the Methoxide, Ethoxide, Isopropoxide, and tert-Butoxide Anions
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Beteiligte:
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Erschienen in:JOURNAL OF PHYSICAL CHEMISTRY A ; 105 ; 432-441
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Verlag:
- Neue Suche nach: AMERICAN CHEMICAL SOCIETY
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Erscheinungsdatum:01.01.2001
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Format / Umfang:10 pages
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ISSN:
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Medientyp:Aufsatz (Zeitschrift)
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Format:Print
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Sprache:Englisch
- Neue Suche nach: 541 / 540
- Weitere Informationen zu Dewey Decimal Classification
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Klassifikation:
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Datenquelle:
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- 810
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Anomalous Fluorescence of Terrylene in Neon MatrixDeperasińska, I. / Kozankiewicz, B. / Biktchantaev, I. / Sepioł, J. et al. | 2001
- 815
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Rate Constants for the Gas-Phase Reactions of Ozone with Isoprene, alpha- and beta-Pinene, and Limonene as a Function of TemperatureKhamaganov, V. G. / Hites, R. A. et al. | 2001
- 815
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Rate Constants for the Gas-Phase Reactions of Ozone with Isoprene, α- and β-Pinene, and Limonene as a Function of TemperatureKhamaganov, Victor G. / Hites, Ronald A. et al. | 2001
- 823
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Excited State Isomerization Kinetics of 4-(Methanol)Stilbene: Application of the Isodielectric Kramers−Hubbard AnalysisWiemers, Kathy L. / Kauffman, John F. et al. | 2001
- 829
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A New pH Oscillator: The Chlorite−Sulfite−Sulfuric Acid System in a CSTRFrerichs, Glen A. / Mlnarik, Tara M. / Grun, Robert J. / Thompson, Richard C. et al. | 2001
- 838
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How the Fourteen Most Stable CH4P2 Isomers InterconvertAn ab Initio/NMR StudyDransfeld, Alk / Landuyt, Luc / Flock, Michaela / Nguyen, Minh Tho / Vanquickenborne, Luc G. et al. | 2001
- 849
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Theoretical Study of Indium Compounds of Interest for Organometallic Chemical Vapor DepositionCardelino, B. H. / Moore, C. E. / Cardelino, C. A. / Frazier, D. O. / Bachmann, K. J. et al. | 2001
- 869
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Ab Initio Study of Possible and Preferred Basic Site(s) in Polyfunctional N^1,N^1-Dimethyl-N^2-cyanoformamidineMakowski, M. / Raczynska, E. D. / Chmurzynski, L. et al. | 2001
- 869
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Ab Initio Study of Possible and Preferred Basic Site(s) in Polyfunctional N ,N 1-Dimethyl-N -cyanoformamidineMakowski, Mariusz / Raczyńska, Ewa D. / Chmurzyński, Lech et al. | 2001
- 875
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Direct Characterization of Radical Species Generated on One-Electron Oxidation of 3,6-Diamino-10-methylacridanMarcinek, A. / Zielonka, J. / Adamus, J. / Gȩbicki, J. / Platz, Matthew S. et al. | 2001
- 880
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Toward a Density-Based Representation of Reactivity: SN2 ReactionKnoerr, Erika H. / Eberhart, M. E. et al. | 2001
- 885
-
Absorption Spectra of Several Metal Complexes Revisited by the Time-Dependent Density-Functional Theory-Response Theory FormalismBoulet, P. / Chermette, H. / Daul, C. / Gilardoni, F. / Rogemond, F. / Weber, J. / Zuber, G. et al. | 2001
- 895
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Benchmark ab Initio Energy Profiles for the Gas-Phase SN2 Reactions Y- + CH3X → CH3Y + X- (X,Y = F,Cl,Br). Validation of Hybrid DFT MethodsParthiban, Srinivasan / de Oliveira, Glênisson / Martin, Jan M. L. et al. | 2001
- 905
-
An ab Initio and Raman Investigation of Sulfate Ion HydrationPye, Cory C. / Rudolph, Wolfram W. et al. | 2001
- 913
-
Density Functional Calculations of Methyllithium, t-Butyllithium, and Phenyllithium Oligomers: Effect of Hyperconjugation on ConformationKwon, Ohyun / Sevin, Fatma / McKee, Michael L. et al. | 2001
- 923
-
The Trans-Bent Structures of the Acetylene and Methylacetylene Radical AnionsHuang, Ming-Bao / Liu, Yajun et al. | 2001
- 930
-
What Parameters Determine N−N and O−O Coupling Constants (2h J X - X) Across X−H+−X Hydrogen Bonds?Del Bene, Janet E. / Perera, S. Ajith / Bartlett, Rodney J. et al. | 2001
- 935
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Calculation of the Structures, Stabilities, and Properties of Mercury Sulfide Species in Aqueous SolutionTossell, J. A. et al. | 2001
- 942
-
Ground-State Proton Transfer Tautomer of Al(III)−Salicylate Complexes in Ethanol SolutionWang, Z. / Friedrich, D. M. / Ainsworth, C. C. / Hemmer, S. L. / Joly, A. G. / Beversluis, M. R. et al. | 2001
- 951
-
Temperature Effects in Transition Metal Ion and Cluster Ion ReactionsBondybey, Vladimir E. / Beyer, Martin K. et al. | 2001
- 961
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S0, S1, and Ion I0 Binding Energies of the p-Methoxyphenethylamine(H2O)1-4 ComplexesFernández, Jose A. / Unamuno, Iñigo / Longarte, Asier / Castaño, Fernando et al. | 2001
- 969
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Energetics of the Gas Phase Hydrates of trans-Formanilide: A Microscopic Approach to the Hydration Sites of the Peptide BondMons, Michel / Dimicoli, Iliana / Tardivel, Benjamin / Piuzzi, François / Robertson, Evan G. / Simons, John P. et al. | 2001
- 974
-
Infrared Spectra of Large H2O Clusters: New Understanding of the Elusive Bending Mode of IceDevlin, J. Paul / Sadlej, Joanna / Buch, Victoria et al. | 2001
- 984
-
A Determination of the Structure of the Intramolecular Charge Transfer State of 4-Dimethylaminobenzonitrile (DMABN) by Time-Resolved Resonance Raman SpectroscopyKwok, W. M. / Ma, C. / Matousek, P. / Parker, A. W. / Phillips, D. / Toner, W. T. / Towrie, M. / Umapathy, S. et al. | 2001
- 991
-
Temperature, Pressure and Solvent Dependence of Positronium Reactivity toward NitrobenzeneGangopadhyay, Debarshi / Sanyal, D. / Ganguly, Bichitra Nandi / Mukherjee, Tapas / Kumar, Sanjay / Banerjee, D. / Dutta-Roy, Binayak / Bhattacharya, Rangalal et al. | 2001
- 995
-
Nitrobenzene IsomersPolášek, Miroslav / Tureček, František / Gerbaux, Pascal / Flammang, Robert et al. | 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 EtherFridgen, Travis D. / McMahon, Terry B. et al. | 2001
- 1020
-
Alkyl Nitrate, Hydroxyalkyl Nitrate, and Hydroxycarbonyl Formation from the NO x −Air Photooxidations of C5−C8 n-AlkanesArey, Janet / Aschmann, Sara M. / Kwok, Eric S. C. / Atkinson, Roger et al. | 2001
- 1028
-
Direct Experimental Evidence for Reactions between Dissolved Acid Halide and Chlorine NitrateGilligan, J. J. / Castleman, A. W. et al. | 2001
- 1033
-
Dipole-Bound Anions of Adenine−Water Clusters. Ab Initio StudyJalbout, A. F. / Adamowicz, L. et al. | 2001
- 1039
-
Gas-Phase Conformations of 3-Buten-2-ol from Density-Functional Theoretical Results Together with Electron-Diffraction and Vibrational Spectroscopic DataShishkov, 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. et al. | 2001
- 1050
-
Conformational Preferences of Neurotransmitters: Norephedrine and the Adrenaline Analogue, 2-Methylamino-1-phenylethanolButz, Patrick / Kroemer, Romano T. / Macleod, Neil A. / Robertson, Evan G. / Simons, John P. et al. | 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 CDatta, Anindya / Bandyopadhyay, Pradipta / Wen, Jin / Petrich, Jacob W. / Gordon, Mark S. et al. | 2001
- 1061
-
Ab Initio Studies on the Mechanism of Tyrosine CouplingShamovsky, Igor L. / Riopelle, Richard J. / Ross, Gregory M. et al. | 2001
- 1071
-
Dipole-Bound Anions to Adenine−Imidazole Complex. Ab Initio StudyJalbout, A. F. / Adamowicz, L. et al. | 2001
- 1074
-
Structure, Disorder, and Molecular Dynamics in Zn(d,l-histidine)2: EPR of Copper Ion Dopants, X-ray Diffraction, and Calorimetric StudiesDalosto, Sergio D. / Calvo, Rafael / Pizarro, José L. / Arriortua, María I. et al. | 2001
- 1086
-
Intrinsic and Environmental Effects on the Kinetic and Thermodynamics of Linkage Isomerization in Nitritopentaamminecobalt(III) ComplexCiofini, Ilaria / Adamo, Carlo et al. | 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 of N,N-Dimethylformamide in Water, Methanol, and AcetonitrileHickey, Kenneth / Waghorne, W. Earle / Sacco, Antonio et al. | 2001
- 1097
-
Unusual Photophysical Properties of Coumarin-151Nad, Sanjukta / Pal, Haridas et al. | 2001
- 1107
-
Photoreactivity of Cr(CO)4(2,2‘-Bipyridine): Quantum Chemistry and Photodissociation DynamicsGuillaumont, Dominique / Vlček,, Antonin / Daniel, Chantal et al. | 2001
- 1115
-
H-Atom Product Channels in the Photodissociation of CH3Cl, CH3Br, and CH3I at 121.6 nmAmaral, Gabriel / Xu, Kesheng / Zhang, Jingsong et al. | 2001
- 1121
-
Crystal Structure of Magnesiumphthalocyanine and Its Polarized Reflection SpectraMizuguchi, J. et al. | 2001
- 1125
-
Electronic Characterization of 1-Keto-4-thioketo-3,6-diphenylpyrrolo[3,4-c]pyrrole in Solution and in the Solid StateMizuguchi, J. et al. | 2001
- 1131
-
Structural Characterization of 9-Cyanoanthracene−(Ar) n (n = 0−3) by Rotational Coherence SpectroscopyEgashira, Kazuhiro / Ohshima, Yasuhiro / Kajimoto, Okitsugu et al. | 2001
- 1140
-
Isomers of C70 DimerHeine, T. / Zerbetto, F. / Seifert, G. / Fowler, P. W. et al. | 2001
- 1144
-
Ionization of Atmospheric Gases Containing Ozone and Carbonyl Sulfide. Formation and Reactivity of SO+ IonsCacace, Fulvio / de Petris, Giulia / Rosi, Marzio / Troiani, Anna et al. | 2001
- 1150
-
Reactivities of d-Mannitol and Related Alcohols toward Chromium(VI) and Chromium(IV)Perez-Benito, Joaquin F. / Arias, Conchita / Rodriguez, Rosa M. et al. | 2001
- 1158
-
Laser Flash Photolysis Studies of the Reaction of Arylhalocarbenes with Tetramethylethylene as a Function of SolventÇelebi, Sol / Tsao, Meng-Lin / Platz, Matthew S. et al. | 2001
- 1163
-
Long Range π-Type Hydrogen Bond in the Dimers (HF)2, (H2O)2, and H2O−HFZhi-Ru, Li / Di, Wu / Ze-Sheng, Li / Xu-Ri, Huang / Tao, Fu-Ming / Chia-Chung, Sun et al. | 2001
- 1163
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Long Range pi-Type Hydrogen Bond in the Dimers (HF)~2, (H~2O)~2, and H~2O-HFZhi-Ru, L. / Di, W. / Ze-Sheng, L. / Xu-Ri, H. / Tao, F.-M. / Chia-Chung, S. et al. | 2001
- 1169
-
Ab Initio Study of the Crystallographic Solvation Pattern of the Cytosine-Guanine Base Pair in DNAMoroni, Federico / Famulari, Antonino / Raimondi, Mario et al. | 2001
- 1175
-
First-Principles Investigation of the Boron and Aluminum Carbides BC and AlC and Their Anions BC- and AlC-. 1Tzeli, Demeter / Mavridis, Aristides et al. | 2001
- 1185
-
Reaction Pathways of Singlet Silylene and Singlet Germylene with Water, Methanol, Ethanol, Dimethyl Ether, and Trifluoromethanol: An ab Initio Molecular Orbital StudyHeaven, Michael W. / Metha, Gregory F. / Buntine, Mark. A. et al. | 2001
- 1197
-
Hoogsteen and Stacked Structures of the 9-Methyladenine···1-Methylthymine Pair Are Populated Equally at Experimental Conditions: Ab Initio and Molecular Dynamics StudyRyjáček, Filip / Engkvist, Ola / Vacek, Jaroslav / Kratochvíl, Martin / Hobza, Pavel et al. | 2001
- 1203
-
A Quantum Chemical Theoretical Study of Decomposition Pathways of N9 (C 2 v ) and N9 + (C 2 v ) ClustersLi, Qian Shu / Wang, Li Jie et al. | 2001
- 1208
-
Ionic Dissociation of Perchloric Acid in Microsolvated ClustersWeber, Kevin H. / Tao, Fu-Ming et al. | 2001
- 1214
-
Energy Transfer to the Low-Energy Triplet States of 1,3-Dicarbonylazomethine Dyes: The Role of Unique Geometries and Nonadiabatic BehaviorAbu-Hasanayn, Faraj / Herkstroeter, William G. et al. | 2001
- 1223
-
Comment to the Moudrakovski et al. Letter, “Hydrate Layers on Ice Particles and Superheated Ice: A 1H NMR Microimaging Study”Stern, Laura A. / Kirby, Stephen H. / Durham, William B. et al. | 2001
- 1225
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To The Journal of Physical Chemistry Authors and Reviewers| 2001
- 1226
-
Formation of CH3CFCl+ from Photoionization of CH3CFCl2: An Application of Threshold Photoelectron Photoion Coincidence (TPEPICO) TechniqueChiang, Su-Yu / Lee, Yu-Chang / Lee, Yuan-Pern et al. | 2001
- 1232
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Diffusion of Aromatic Hydrocarbons in n-Alkanes and CyclohexanesKowert, Bruce A. / Dang, Nhan C. / Sobush, Kurtis T. / Seele, Louis G. et al. | 2001
- 1238
-
Ultrafast Energy Equilibration in Hydrogen-Bonded LiquidsLock, A. J. / Woutersen, S. / Bakker, H. J. et al. | 2001
- 1244
-
Gas-Phase Spectroscopy of the Unstable Acetonitrile N-Oxide Molecule, CH3CNOPasinszki, Tibor / Westwood, Nicholas P. C. et al. | 2001
- 1254
-
Valence Orbital Electron Momentum Spectroscopy For N2OWang, Feng / Brunger, Michael J. / Larkins, Frank P. et al. | 2001
- 1260
-
Collision Energy Dependence on the Microsolvated SN2 Reaction of F-(H2O) with CH3Cl: A Full Dimensional Ab Initio Direct Dynamics StudyTachikawa, Hiroto et al. | 2001
- 1267
-
A Confined Electron Spherical Void Model in SonoluminescenceLiu, Zhongzhu / Yu, Liangying / Luo, Jun et al. | 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 DioxideWorrall, D. R. / Abdel-Shafi, A. A. / Wilkinson, F. et al. | 2001
- 1270
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Factors Affecting the Rate of Decay of the First Excited Singlet State of Molecular Oxygen O2(aΔg) in Supercritical Fluid Carbon DioxideWorrall, David R. / Abdel-Shafi, Ayman A. / Wilkinson, Francis et al. | 2001
- 1277
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Determination of the Equilibrium Constant and Thermodynamic Parameters for the Reaction of Pentadienyl Radicals with O2Zils, Régis / Inomata, Satoshi / Imamura, Takashi / Miyoshi, Akira / Washida, Nobuaki et al. | 2001
- 1283
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Molecular Dynamics Simulation Study of the Influence of Conformation on the Solvation Thermodynamics of 1,2-Dimethoxyethane and 1,2-Dimethoxypropane in Aqueous SolutionSmith, Grant D. / Bedrov, Dmitry et al. | 2001
- 1288
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Theoretical Study of Tautomeric Forms of Uracil. 1. Relative Order of Stabilities and Their Relation to Proton Affinities and Deprotonation EnthalpiesKryachko, Eugene S. / Nguyen, Minh Tho / Zeegers-Huyskens, Thérèse et al. | 2001
- 1296
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Theoretical Studies of Competing Reaction Pathways and Energy Barriers for Alkaline Ester Hydrolysis of CocaineZhan, Chang-Guo / Landry, Donald W. et al. | 2001
- 1302
-
Mechanism for Unimolecular Decomposition of HMX (1,3,5,7-Tetranitro-1,3,5,7-tetrazocine), an ab Initio StudyChakraborty, Debashis / Muller, Richard P. / Dasgupta, Siddharth / Goddard, William A. et al. | 2001
- 1315
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Binding Energy in and Equilibrium Constant of Formation for the Dodecahedrane Compounds He@C20H20 and Ne@C20H20Jiménez-Vázquez, Hugo A. / Tamariz, Joaquín / Cross, R. James et al. | 2001
- 1320
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Bonding of α-Dicarbonyls to Nickel: Structural and Vibrational AnalysisRochefort, Alain / McBreen, Peter et al. | 2001
- 1320
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Bonding of alpha-Dicarbonyls to Nickel: Structural and Vibrational AnalysisRochefort, A. / McBreen, P. et al. | 2001
- 1326
-
Quantum/Classical Mechanical Comparison of Cation-pi Interactions between Tetramethylammonium and BenzeneFelder, C. / Jiang, H.-L. / Zhu, W.-L. / Chen, K.-X. / Silman, I. / Botti, S. A. / Sussman, J. L. et al. | 2001
- 1326
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Quantum/Classical Mechanical Comparison of Cation−π Interactions between Tetramethylammonium and BenzeneFelder, Clifford / Jiang, Hua-Liang / Zhu, Wei-Liang / Chen, Kai-Xian / Silman, Israel / Botti, Simone A. / Sussman, Joel L. et al. | 2001
- 1334
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Ab Initio MCSCF Study on Eight pi-Electron Heterocyclic Conjugated Systems: Energy Component Analysis of the Pseudo-Jahn-Teller Distortion from PlanarityToyota, A. / Shiota, M. / Nagae, Y. / Koseki, S. et al. | 2001
- 1334
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Ab Initio MCSCF Study on Eight π-Electron Heterocyclic Conjugated Systems: Energy Component Analysis of the Pseudo-Jahn−Teller Distortion from PlanarityToyota, Azumao / Shiota, Masahiro / Nagae, Yukihiko / Koseki, Shiro et al. | 2001
- 1343
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Internal Bond Rotation in Substituted Methyl Radicals, H2B−CH2, H3C−CH2, H2N−CH2, and HO−CH2: Hardness ProfilesUchimaru, Tadafumi / Chandra, Asit K. / Kawahara, Shun-ichi / Matsumura, Kazunari / Tsuzuki, Seiji / Mikami, Masuhiro et al. | 2001
- 1354
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State-Specific Brillouin−Wigner Multireference Coupled Cluster Study of the Singlet−Triplet Separation in the Tetramethyleneethane DiradicalPittner, Jiří / Nachtigall, Petr / Čársky, Petr / Hubač, Ivan et al. | 2001
- 1357
-
An ab Initio Study of Hydrogen Bonding Effects on the 15N and 1H Chemical Shielding Tensors in the Watson−Crick Base PairsCzernek, Jiří et al. | 2001
- 1366
-
Simple Scheme To Evaluate Crystal Nonlinear Susceptibilities: Semiempirical AM1 Model Investigation of 3-Methyl-4-nitroaniline CrystalCastet, Frédéric / Champagne, Benoît et al. | 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] IsomersPolášek, Miroslav / Tureček, František et al. | 2001
- 1383
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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 asShoeib, Tamer / El Aribi, Houssain / Hopkinson, Alan C. et al. | 2001
- 1385
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Introduction to Harold Johnston Festschrift| 2001
- 1386
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Cover Art Description † , ‡| 2001
- 1388
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Autobiographical Sketch of Harold Johnston †| 2001
- 1391
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Biographical Notes of Harold Johnston †| 2001
- 1392
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Coauthors of Harold Johnston †| 2001
- 1393
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Bibliography of Harold Johnston † , ‡| 2001
- 1411
-
Uptake of Methanol Vapor in Sulfuric Acid Solutions †Kane, Sean M. / Leu, Ming-Taun et al. | 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. et al. | 2001
- 1423
-
Kinetics of CH2ClO Radical Reactions with O2 and NO, and the Unimolecular Elimination of HCl †Wu, Fuxiang / Carr, Robert W. et al. | 2001
- 1433
-
Homogeneous Freezing of Concentrated Aqueous Nitric Acid Solutions at Polar Stratospheric Temperatures †Salcedo, Dara / Molina, Luisa T. / Molina, Mario J. et al. | 2001
- 1440
-
Methylsulfonyl Radical Unimolecular Dissociation Studied by Deep-UV Ultrafast Photoionization Spectroscopy †Owrutsky, J. C. / Nelson, H. H. / Baronavski, A. P. et al. | 2001
- 1445
-
Rates of Reaction for Cyclopropane and Difluoromethoxydifluoromethane with Hydroxyl Radicals †Wilson,, Edmond W. / Sawyer, Amber A. / Sawyer, Holly A. et al. | 2001
- 1449
-
Assessing Effects of Rate Parameter Changes on Ozone Modules Using Sensitivity AnalysisSmith, G. P. / Dubey, M. K. / Kinnison, D. E. / Connell, P. S. et al. | 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. et al. | 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. et al. | 2001
- 1465
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H + NO2 Channels in the Photodissociation of HONO at 193.3 nm †Amaral, Gabriel / Xu, Kesheng / Zhang, Jingsong et al. | 2001
- 1476
-
Relating State-Dependent Cross Sections to Non-Arrhenius Behavior for the Cl + CH4 Reaction †Michelsen, Hope A. / Simpson, William R. et al. | 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. et al. | 2001
- 1498
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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. et al. | 2001
- 1507
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High-Pressure Flow Reactor Product Study of the Reactions of HO x + NO2: The Role of Vibrationally Excited Intermediates †Dransfield, Timothy J. / Donahue, Neil M. / Anderson, James G. et al. | 2001
- 1515
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Constraining the Mechanism of OH + NO2 Using Isotopically Labeled Reactants: Experimental Evidence for HOONO Formation †Donahue, Neil M. / Mohrschladt, Ralf / Dransfield, Timothy J. / Anderson, James G. / Dubey, Manvendra K. et al. | 2001
- 1521
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The NO x −HNO3 System in the Lower Stratosphere: Insights from In Situ Measurements and Implications of the J HNO 3 −[OH] RelationshipPerkins, 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
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Establishing the Dependence of [HO2]/[OH] on Temperature, Halogen Loading, O3, and NO x Based 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. et al. | 2001
- 1543
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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
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Mechanism of HO x Formation 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. et al. | 2001
- 1561
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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. et al. | 2001
- 1574
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Reactions of NO+ with Isomeric Butenes from 225 to 500 K †Midey, Anthony J. / Williams, Skip / Viggiano, A. A. et al. | 2001
- 1579
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Catalysis by NO x as the Main Cause of the Spring to Fall Stratospheric Ozone Decline in the Northern Hemisphere †Crutzen, Paul J. / Brühl, Christoph et al. | 2001
- 1583
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Rate Constant Measurements for the Reaction of HO2 with O3 from 200 to 300 K Using a Turbulent Flow Reactor †Herndon, Scott C. / Villalta, Peter W. / Nelson, David D. / Jayne, John T. / Zahniser, Mark S. et al. | 2001
- 1592
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NO2 Quantum 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. et al. | 2001
- 1599
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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. et al. | 2001
- 1605
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Reaction of Hydroxyl Radical with Nitric Acid: Insights into Its Mechanism †Brown, Steven S. / Burkholder, James B. / Talukdar, Ranajit K. / Ravishankara, A. R. et al. | 2001
- 1615
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Unimolecular Reaction Kinetics of CF2ClCF2CH3 and CF2ClCF2CD3: Experimental Evidence for a Novel 1,2-FCl Rearrangement Pathway †Burgin, Maria O. / Heard, George L. / Martell, Jaime M. / Holmes, Bert E. et al. | 2001
- 1622
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1,2-FCl Rearrangement as an Intermediate Step in the Unimolecular 1,3-HCl Elimination from Chlorofluoropropanes †Heard, George L. / Holmes, Bert E. et al. | 2001
- 1626
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Slowing and Speeding Molecular Beams by Means of a Rapidly Rotating Source †Gupta, Manish / Herschbach, Dudley et al. | 2001
- 1638
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Heat of Formation of OBrO: Experimental Photoionization Study †Klemm, R. Bruce / Thorn, R. Peyton / Stief, Louis J. / Buckley, Thomas J. / Johnson, Russell D. et al. | 2001
- 1643
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Chemical Kinetics of the NaO (A ^2Sigma^+) + O(^3P) ReactionGriffin, J. / Worsnop, D. R. / Brown, R. C. / Kolb, C. E. / Herschbach, D. R. et al. | 2001
- 1643
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Chemical Kinetics of the NaO (A 2Σ+) + O(3P) Reaction †Griffin, J. / Worsnop, D. R. / Brown, R. C. / Kolb, C. E. / Herschbach, D. R. et al. | 2001
- 1649
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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. et al. | 2001
- 1656
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Oxygen Isotope Effects in the Oxidation of Methane to Carbon Monoxide †Weston, Ralph E. et al. | 2001
- 1662
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Symmetry Breaking and the Molecular Structure of NO3 + †Miller, Charles E. / Francisco, Joseph S. et al. | 2001
- 1669
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Use of Quantum Methods with Transition State Theory: Application to H-Atom Metathesis Reactions †Senosiain, Juan P. / Musgrave, Charles B. / Golden, David M. et al. | 2001
- 1677
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Direct Observation of Resonance Motion in Complex Elimination Reactions: Femtosecond Coherent Dynamics in Reduced SpaceKötting, Carsten / Diau, Eric W.-G. / Baldwin, John E. / Zewail, Ahmed H. et al. | 2001
- 1683
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Ultrafast Surface Dynamics Studied with Femtosecond Sum Frequency GenerationRoke, Sylvie / Kleyn, Aart W. / Bonn, Mischa et al. | 2001
- 1687
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Femtosecond Fluorescence Anisotropy Studies of Solvation-Induced Intraligand Charge Transfer in Photoexcited Aluminum(III) Tris(8-hydroxyquinoline)van Veldhoven, E. / Zhang, H. / Glasbeek, M. et al. | 2001
- 1693
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Evidence of a Double Surface Crossing between Open- and Closed-Shell Surfaces in the Photodissociation of Cyclopropyl IodideArnold, Pamela A. / Cosofret, Bogdan R. / Dylewski, Scott M. / Houston, Paul L. / Carpenter, Barry K. et al. | 2001
- 1702
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Molecular Dynamics Simulations of Dimethyl Sulfoxide and Dimethyl Sulfoxide−Water MixtureVishnyakov, Aleksey / Lyubartsev, Alexander P. / Laaksonen, Aatto et al. | 2001
- 1711
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Map for the Relaxation Dynamics of Hot Photoelectrons Injected into Liquid Water via Anion Threshold Photodetachment and above Threshold Solvent IonizationVilchiz, Victor H. / Kloepfer, Jeremiah A. / Germaine, Amy C. / Lenchenkov, Victor A. / Bradforth, Stephen E. et al. | 2001
- 1724
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Solvent−Solute Interactions Probed by Picosecond Transient Raman Spectroscopy: Vibrational Relaxation and Conformational Dynamics in S1 trans-4,4‘-DiphenylstilbeneLeonard, James D. / Gustafson, Terry L. et al. | 2001
- 1731
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Excited-State Intramolecular Proton Transfer in 10-Hydroxybenzo[h]quinolineChou, Pi-Tai / Chen, Youn-Chan / Yu, Wei-Shan / Chou, Yi-Hsuan / Wei, Ching-Yen / Cheng, Yi-Ming et al. | 2001
- 1741
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Reaction Dynamics of a Photochromic Fluorescing DithienyletheneErn, J. / Bens, A. T. / Martin, H.-D. / Mukamel, S. / Tretiak, S. / Tsyganenko, K. / Kuldova, K. / Trommsdorff, H. P. / Kryschi, C. et al. | 2001
- 1750
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An Extremely Small Reorganization Energy of Electron Transfer in Porphyrin−Fullerene DyadImahori, Hiroshi / Tkachenko, Nikolai V. / Vehmanen, Visa / Tamaki, Koichi / Lemmetyinen, Helge / Sakata, Yoshiteru / Fukuzumi, Shunichi et al. | 2001
- 1757
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Synthesis and Excited State Dynamics of mu-Oxo Group IV Metal Phthalocyanine Dimers: A Laser Photoexcitation StudyPelliccioli, A. P. / Henbest, K. / Kwag, G. / Carvagno, T. R. / Kenney, M. E. / Rodgers, M. A. J. et al. | 2001
- 1757
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Synthesis and Excited State Dynamics of μ-Oxo Group IV Metal Phthalocyanine Dimers: A Laser Photoexcitation StudyPelliccioli, Anna Paola / Henbest, Kevin / Kwag, Gwanghoon / Carvagno, Terri R. / Kenney, Malcolm E. / Rodgers, Michael A. J. et al. | 2001
- 1767
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Time-Resolved Area-Normalized Emission Spectroscopy (TRANES): A Novel Method for Confirming Emission from Two Excited StatesKoti, A. S. R. / Krishna, M. M. G. / Periasamy, N. et al. | 2001
- 1772
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An Infrared and X-ray Absorption Study of the Equilibria and Structures of Chromate, Bichromate, and Dichromate in Ambient Aqueous SolutionsHoffmann, Markus M. / Darab, John G. / Fulton, John L. et al. | 2001
- 1783
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Electronic Structures of Very Strong, Neutral BasesNovak, Igor / Wei, Xuming / Chin, Wee Shong et al. | 2001
- 1789
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Solvation of Mg(ClO4)2 in Deuterated Acetonitrile Studied by Means of Vibrational SpectroscopyCha, Jae-Nam / Cheong, Byeong-Seo / Cho, Han-Gook et al. | 2001
- 1797
-
Quasiclassical Kinetics of the H2 + H2 Reaction and DissociationCeballos, A. / Garcia, E. / Rodriguez, A. / Laganà, A. et al. | 2001
- 1805
-
Determination of Rate Constants of Formation of O2(1Σg + ), O2(1Δg), and O2(3Σg -) in the Quenching of Triplet States by O2 for Compounds with Incomplete Intersystem Crossing †Shafii, Farokh / Schmidt, Reinhard et al. | 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 CrossingShafii, F. / Schmidt, R. et al. | 2001
- 1811
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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 et al. | 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 DerivativesSchmidt, R. / Shafii, F. / Schweitzer, C. / Abdel-Shafi, A. A. / Wilkinson, F. et al. | 2001
- 1818
-
Observation of the Turnover between the Solvent Friction (Overdamped) and Tunneling (Nonadiabatic) Charge-Transfer Mechanisms for a Au/Fe(CN)6 3-/4- Electrode Process and Evidence for a Freezing Out of the Marcus BarrierKhoshtariya, Dimitri E. / Dolidze, Tina D. / Zusman, Leonid D. / Waldeck, David H. et al. | 2001
- 1830
-
Kinetic Study of the Mechanism of the Low-Temperature Pyrolysis of Vinyl BromideLaws, Patricia Ann / Hayley, Bradley D. / Anthony, Lori M. / Roscoe, John M. et al. | 2001
- 1838
-
Infrared Spectroscopic Investigation of the Heterogeneous Reaction of HNO3 and NaCl(100)Sporleder, David / Ewing, George E. et al. | 2001
- 1847
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Ab Initio MO Study of the Triplet C3H4 Potential Energy Surface and the Reaction of C(3Pj) with Ethylene, C2H4Le, Trung Ngoc / Lee, Hwa-yu / Mebel, Alexander M. / Kaiser, Ralf I. et al. | 2001
- 1857
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Regioreversed Thermal and Photochemical Reduction of 10-Methylacridinium and 1-Methylquinolinium Ions by Organosilanes and OrganostannanesFukuzumi, S. / Fujita, M. / Noura, S. / Ohkubo, K. / Suenobu, T. / Araki, Y. / Ito, O. et al. | 2001
- 1857
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Regioreversed Thermal and Photochemical Reduction of 10-Methylacridinium and 1-Methylquinolinium Ions by Organosilanes and OraganostannanesFukuzumi, Shunichi / Fujita, Morifumi / Noura, Souta / Ohkubo, Kei / Suenobu, Tomoyoshi / Araki, Yasuyuki / Ito, Osamu et al. | 2001
- 1869
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A Combined Experimental and Theoretical Study of the Homogeneous, Unimolecular Decomposition Kinetics of 3-Chloropivalic Acid in the Gas PhaseChuchani, Gabriel / Rotinov, Alexandra / Andrés, Juan / Domingo, Luís R. / Safont, V. Sixte et al. | 2001
- 1876
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Spectroscopy of Hydrothermal Reactions 15. The pH and Counterion Effects on the Decarboxylation Kinetics of the Malonate SystemGunawardena, N. R. / Brill, T. B. et al. | 2001