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 (Unknown)
- New search for: Pavão, Antonio C.
- New search for: Taft, Carlton A.
- New search for: Guimarães, Tereza C. F.
- New search for: Leão, Marcelo B. C.
- New search for: Mohallem, José R.
- New search for: Lester, William A.
- New search for: Pavão, Antonio C.
- New search for: Taft, Carlton A.
- New search for: Guimarães, Tereza C. F.
- New search for: Leão, Marcelo B. C.
- New search for: Mohallem, José R.
- New search for: Lester, William A.
In:
The Journal of Physical Chemistry A
;
105
, 1
;
5-11
;
2001
- Article (Journal) / Electronic Resource
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Title: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
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Additional title:J. Phys. Chem. A
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Contributors:Pavão, Antonio C. ( author ) / Taft, Carlton A. ( author ) / Guimarães, Tereza C. F. ( author ) / Leão, Marcelo B. C. ( author ) / Mohallem, José R. ( author ) / Lester, William A. ( author )
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Published in:The Journal of Physical Chemistry A ; 105, 1 ; 5-11
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Publisher:
- New search for: American Chemical Society
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Publication date:2001-01-11
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ISSN:
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Coden:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:Unknown
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Source:
Table of contents – Volume 105, Issue 1
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
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Evidence for a Lower Enthalpy of Formation of Hydroxyl Radical and a Lower Gas-Phase Bond Dissociation Energy of WaterRuscic, Branko / Feller, David / Dixon, David A. / Peterson, Kirk A. / Harding, Lawrence B. / Asher, Robert L. / Wagner, Albert F. et al. | 2001
- 5
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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 ReactionsPavão, Antonio C. / Taft, Carlton A. / Guimarães, Tereza C. F. / Leão, Marcelo B. C. / Mohallem, José R. / Lester, William A. et al. | 2001
- 12
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A pH-Jump Reaction Studied by the Transient Grating Method: Photodissociation of o-NitrobenzaldehydeChoi, Jungkwon / Hirota, Noboru / Terazima, Masahide et al. | 2001
- 19
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Instantaneous and Permanent PhotoionizationLukzen, N. N. / Krissinel, E. B. / Igoshin, O. A. / Burshtein, A. I. et al. | 2001
- 29
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Collisional Quenching and Vibrational Energy Transfer in the A 2Σ+ Electronic State of the CF RadicalNizamov, Boris / Dagdigian, Paul J. et al. | 2001
- 34
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Investigation of the Dynamics of Two Chiral Smectogens by Means of 2H NMRCatalano, Donata / Cifelli, Mario / Geppi, Marco / Veracini, CarloAlberto et al. | 2001
- 41
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Quasiclassical Trajectory Calculations of Mg(3s3pP1) + H2 (υ = 0, N = 1) → MgH (υ, N) + H: Trajectory and Angular Momentum Analysis on Improved ab Initio Potential Energy SurfacesHung, Yu-Ming / Lin, King-Chuen et al. | 2001
- 48
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Optimal Algorithm for Single-Molecule Identification with Time-Correlated Single-Photon CountingEnderlein, Jörg / Sauer, Markus et al. | 2001
- 54
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Coordination and Chemistry of Stable Cu(II) Complexes in the Gas PhaseWright, Rossana R. / Walker, Nicholas R. / Firth, Steve / Stace, Anthony J. et al. | 2001
- 65
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Reaction Processes of O(1D) with Fluoroethane CompoundsKono, Mitsuhiko / Matsumi, Yutaka et al. | 2001
- 70
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Sequential Two-Photon Dissociation of Atmospheric WaterGoss, Lisa M. / Vaida, Veronica / Brault, James W. / Skodje, Rex T. et al. | 2001
- 76
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Kinetics of the Reaction of the CHCl2 Radical with Oxygen AtomsStoliarov, Stanislav I. / Bencsura, Ákos / Shafir, Eugene / Knyazev, Vadim D. / Slagle, Irene R. et al. | 2001
- 82
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Homogeneous Aerosol Formation by the Chlorine Atom Initiated Oxidation of TolueneKarlsson, Rune S. / Szente, Joseph J. / Ball, James C. / Maricq, M. Matti et al. | 2001
- 97
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Oxalyl ChlorideA Clean Source of Chlorine Atoms for Kinetic StudiesBaklanov, Alexey V. / Krasnoperov, Lev N. et al. | 2001
- 104
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Studies of Double-Layer Effects at Single Crystal Gold Electrodes II. The Reduction Kinetics of Hexaaquairon(III) Ion in Aqueous SolutionsHromadová, Magdalena / Fawcett, W. Ronald et al. | 2001
- 112
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Spiral Instabilities in a Reaction−Diffusion SystemZhou, Lu Qun et al. | 2001
- 119
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Reactivity and Selectivity of Reactions of Small Radicals with a Multifunctional Heterocyclic Molecule: 3-(Mercaptoethyl)chinazoline-2,4-(1H,3H)dioneBrede, O. / Schwinn, J. / Leistner, S. / Naumov, S. / Sprinz, H. et al. | 2001
- 128
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Quasi-Relativistic Study of 199Hg Nuclear Magnetic Shielding Constants of Dimethylmercury, Disilylmercury and DigermylmercuryWan, Jian / Fukuda, Ryoichi / Hada, Masahiko / Nakatsuji, Hiroshi et al. | 2001
- 134
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Capability of LEPS Surfaces to Describe the Kinetics and Dynamics of Non-Collinear ReactionsEspinosa-García, J. et al. | 2001
- 140
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A Mechanistic Study of the Reactions of H, O (3P), and OH with Monocyclic Aromatic Hydrocarbons by Density Functional TheoryBarckholtz, Cynthia / Barckholtz, Timothy A. / Hadad, Christopher M. et al. | 2001
- 153
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Low Energy Barrier Proton Transfer in Protonated Benzene−Water ComplexKryachko, Eugene S. / Nguyen, Minh Tho et al. | 2001
- 156
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Theoretical Study of the Reaction of Atomic Hydrogen with AcetonitrileWang, Baoshan / Hou, Hua / Gu, Yueshu et al. | 2001
- 165
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Model Potential Calculations for the Ground and Various Excited States of LiNa+Magnier, S. / Aubert-Frécon, M. et al. | 2001
- 169
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Reactivity Dynamics in Atom−Field Interactions: A Quantum Fluid Density Functional StudyChattaraj, P. K. / Maiti, B. et al. | 2001
- 184
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A CASSCF/CASPT2 and TD-DFT Study of the Low-Lying Excited States of η5-CpMn(CO)3Full, Jürgen / González, Leticia / Daniel, Chantal et al. | 2001
- 190
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CASSCF Investigation of Electronic Excited States of 2-AminopurineRachofsky, Edward L. / Ross, J. B. Alexander / Krauss, Morris / Osman, Roman et al. | 2001
- 198
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Effective Group Potentials. 1. MethodPoteau, Romuald / Ortega, Ivan / Alary, Fabienne / Solis, Alejandro Ramirez / Barthelat, Jean-Claude / Daudey, Jean-Pierre et al. | 2001
- 206
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Effective Group Potentials. 2. Extraction and Transferability for Chemical Groups Involved in Covalent or Donor−Acceptor BondsPoteau, Romuald / Alary, Fabienne / Abou El Makarim, Hassna / Heully, Jean-Louis / Barthelat, Jean-Claude / Daudey, Jean-Pierre et al. | 2001
- 215
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Computational Studies on the Reaction Pathways of CF3Br with O(1D,3P) AtomsZhang, Luning / Qin, Qi-zong et al. | 2001
- 219
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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 PolymersModelli, Alberto / Venuti, Marco / Scagnolari, Francesco / Contento, Michele / Jones, Derek et al. | 2001
- 227
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On Comparison of Experimental Thermochemical Data with G3 TheoryCurtiss, Larry A. / Raghavachari, Krishnan / Redfern, Paul C. / Kedziora, Gary S. / Pople, John A. et al. | 2001
- 229
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A Theoretical Study of the 2NCO + 2OH ReactionCampomanes, Pablo / Menéndez, Isabel / Sordo, Tomás L. et al. | 2001
- 238
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Calculated and Experimental Geometries and Infrared Spectra of Metal Tris-Acetylacetonates: Vibrational Spectroscopy as a Probe of Molecular Structure for Ionic Complexes. Part IDiaz-Acosta, Irina / Baker, Jon / Cordes, Wallace / Pulay, Peter et al. | 2001
- 245
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Theoretical Study on the Structures and Energies of Acetic Acid Dimers in Aqueous SolutionNakabayashi, Takakazu / Sato, Hirofumi / Hirata, Fumio / Nishi, Nobuyuki et al. | 2001
- 251
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Methodologies for Computational Studies of Quininoidal Diiminediyls: Biradical vs Dinitrene BehaviorLahti, Paul M. / Ichimura, Andrew S. / Sanborn, Jon A. et al. | 2001
- 261
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Structure and Stability of Boron Nitrides: The Crossover between Rings and CagesStrout, Douglas L. et al. | 2001
- 264
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Reactions in the Al−H−Cl System Studied by ab Initio Molecular Orbital and Density Functional MethodsSwihart, Mark T. / Catoire, Laurent et al. | 2001
- 274
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First Principles Calculation of pK a Values for 5-Substituted UracilsJang, Yun Hee / Sowers, Lawrence C. / Çaǧin, Tahir / Goddard, William A. et al. | 2001
- 281
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Absolute O2(aΔ) Concentration Measurement in Singlet Oxygen Generator by Using the Piston Source MethodDuo, Liping / Cui, Tieji / Wang, Zengqiang / Chen, Wenwu / Yang, Bailing / Sang, Fengting et al. | 2001
- 285
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The Photochemistry of cis-o rtho-, m eta-, and p ara-AminostilbenesLewis, Frederick D. / Kalgutkar, Rajdeep S. et al. | 2001
- 292
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Are the Hydrophobic AsPh4 + and BPh4 - Ions Equally Solvated? A Theoretical Investigation in Aqueous and Nonaqueous Solutions Using Different Charge DistributionsSchurhammer, R. / Wipff, G. et al. | 2001