Ab Initio Molecular Orbital Study of Toleune and Its Derivatives (English)
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- New search for: Chen, P. C.
- New search for: Wu, C. W.
- New search for: Chen, P. C.
- New search for: Wu, C. W.
In:
The Journal of Physical Chemistry
;
99
, 41
;
15023-15027
;
1995
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Ab Initio Molecular Orbital Study of Toleune and Its Derivatives
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Additional title:J. Phys. Chem.
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Contributors:Chen, P. C. ( author ) / Wu, C. W. ( author )
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Published in:The Journal of Physical Chemistry ; 99, 41 ; 15023-15027
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Publisher:
- New search for: American Chemical Society
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Publication date:1995-10-01
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ISSN:
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Coden:
-
DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Source:
Table of contents – Volume 99, Issue 41
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.
- 14907
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Electrospray and Laser Desorption Ionization Studies of C60O and Isomers of C60O2Deng, Jin-Pei / Mou, Chung-Yuan / Han, Chau-Chung et al. | 1995
- 14911
-
Large Nonlinear Optical Effects and Small Linear Absorption of Inorganic Clusters (Me4N)2[Cu4(SPh)6] and (Me4N)2[Ag6(SPh)8]Shi, S. / Zhang, X. / Shi, X. F. et al. | 1995
- 14915
-
Determination of Intersystem Crossing Parameters via Observation of Quantum Jumps on Single MoleculesVogel, M. / Gruber, A. / Wrachtrup, J. / von Borczyskowski, C. et al. | 1995
- 14918
-
Ab Initio Calculation of Vibrational Circular Dichroism Spectra Using Gauge-Invariant Atomic OrbitalsBak, K. L. / Devlin, F. J. / Ashvar, C. S. / Taylor, P. R. / Frisch, M. J. / Stephens, P. J. et al. | 1995
- 14923
-
Electron Transfer, Solvation, and Amplified Stimulated Emission of Pyrene-DMA and Anthracene-DMAWiessner, A. / Huettmann, G. / Kuehnle, W. / Staerk, H. et al. | 1995
- 14931
-
Solvent Relaxation around the Excited State of Indole: Analysis of Fluorescence Lifetime Distributions and Time-Dependence Spectral ShiftsVincent, Michel / Gallay, Jacques / Demchenko, Alexander P. et al. | 1995
- 14942
-
Dynamic NMR Study of 1,3,5,7-Tetraoxacyclooctane in Liquid and Liquid Crystalline Solutions and in the Solid StateCalucci, L. / Zimmermann, H. / Poupko, R. / Luz, Z. et al. | 1995
- 14949
-
Detection and control of molecular quantum dynamicsChe, Jianwei / Krause, Jeffrey L. / Messina, Michael / Wilson, Kent R. / Yan, YiJing et al. | 1995
- 14959
-
Theoretical Investigations of Vinyl Bromide Dissociation in Xe and Kr MatricesAgrawal, Paras M. et al. | 1995
- 14959
-
Theoretical Investigations of Vinyl Bromide Dissociation in Xe and Kr MatrixesAgrawal, Paras M. / Sorescu, Dan C. / Raff, Lionel M. / Abrash, Samuel A. et al. | 1995
- 14967
-
Matrix-Isolation FT-IR Studies and ab-Initio Calculations of Hydrogen-Bonded Complexes of Molecules Modeling Cytosine or Isocytosine Tautomers. 3. Complexes of 4-Hydroxypyridine and 3-Hydroxypyridine with H~2O in Ar MatricesBuyl, F. / Smets, J. / Maes, G. / Adamowicz, L. et al. | 1995
- 14967
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Matrix-Isolation FT-IR Studies and ab-lnitio Calculations of Hydrogen-Bonded Complexes of Molecules Modeling Cytosine or Isocytosine Tautomers. 3. Complexes of 4-Hydroxypyridine and 3-Hydroxypyridine with H2O in Ar MatricesBuyl, Fritz et al. | 1995
- 14967
-
Matrix-Isolation FT-IR Studies and ab-initio Calculations of Hydrogen-Bonded Complexes of Molecules Modeling Cytosine or Isocytosine Tautomers. 3. Complexes of 4-Hydroxypyridine and 3-Hydroxypyridine with H2O in Ar MatrixesBuyl, Fritz / Smets, Johan / Maes, Guido / Adamowicz, Ludwik et al. | 1995
- 14980
-
Theoretical Study of the Electronic Spectra of the Biphenyl Cation and AnionRubio, Mercedes et al. | 1995
- 14980
-
A Theoretical Study of the Electronic Spectra of the Biphenyl Cation and AnionRubio, Mercedes / Merchan, Manuela / Orti, Enrique / Roos, Bjoern O. et al. | 1995
- 14988
-
Third Harmonic Generation Spectroscopy of Boron SubphthalocyanineDiaz-Garcia, Maria A. / Agullo-Lopez, Fernando / Sastre, Angela / Torres, Tomas / Torruellas, William E. / Stegeman, George I. et al. | 1995
- 14992
-
Experimental and Theoretical Studies of Vibrational and Electronic Spectra of the Molecule and Crystal of p-IsopropylphenolSzostak, M. M. / Misiaszek, T. / Roszak, S. / Rankin, J. G. / Czernuszewicz, R. S. et al. | 1995
- 15004
-
Reactions of laser-ablated Zr and Hf atoms with hydrogen. Matrix infrared spectra of the MH, MH2, MH3, and MH4 moleculesChertihin, George V. / Andrews, Lester et al. | 1995
- 15011
-
X-ray Diffraction, UV Photoelectron, and ab Initio Study of Intramolecular Interactions in b-Carbonyl SulfonesColle, Maurizio Dal et al. | 1995
- 15011
-
X-ray Diffraction, UV Photoelectron, and Ab Initio Study of Intramolecular Interactions in .beta.-Carbonyl SulfonesDal Colle, Maurizio / Bertolasi, Valerio / de Palo, Marcello / Distefano, Giuseppe / Jones, Derek / Modelli, Alberto / Olivato, Paulo R. et al. | 1995
- 15011
-
X-ray Diffraction, UV Photoelectron, and ab Initio Study of Intramolecular Interactions in -Carbonyl SulfonesDal Colle, M. / Bertolasi, V. / Distefano, M. / De Palo, G. et al. | 1995
- 15018
-
A Check of Quantum Chemical Molecular Models of Adsorption on Oxides against Experimental Infrared DataPelmenschikov, A. G. / Morosi, G. / Gamba, A. / Coluccia, S. et al. | 1995
- 15023
-
Ab Initio Molecular Orbital Study of Toluene and Its DerivativesChen, P.C. et al. | 1995
- 15023
-
Ab Initio Molecular Orbital Study of Toleune and Its DerivativesChen, P. C. / Wu, C. W. et al. | 1995
- 15028
-
Elementary Gas Phase Processes in the MOVPE of GaAs: An ab Initio Molecular Orbital StudyTrachtman, Mendel / Beebe, Scott / Bock, Charles W. et al. | 1995
- 15035
-
Theoretical Studies on the Substitution Reactions of Sulfonyl Compounds. 2. Hydrolysis and Methanolysis of Methanesulfonyl ChlorideYang, Kiyull / Koo, In Sun / Lee, Ikchoon et al. | 1995
- 15041
-
Ab Initio Study of the Strong Binding of BeO to Li, Be, and B Atoms in the Hyperstoichiometric LiOBe, BeOBe, and BeOB MoleculesBoldyrev, Alexander I. / Simons, Jack et al. | 1995
- 15046
-
Density Functional Studies of Zeolites. 2. Structure and Acidity of [T]-ZSM-5 Models (T = B, Al, Ga, and Fe)Stave, Mark S. / Nicholas, John B. et al. | 1995
- 15046
-
Density Functional Studies of Zeolites. 2. Structure and Acidity of (T)-ZSM-5 Models (TStave, Mark S. et al. | 1995
- 15062
-
Density Functional Study of Intrinsic and Environmental Effects in the Tautomeric Equilibrium of 2-PyridoneBarone, Vincenzo / Adamo, Carlo et al. | 1995
- 15069
-
Electronic Structure of Hf@C28 and Its Ions. 2. CI CalculationsTuan, Debbie Fu-Tai / Pitzer, Russell M. et al. | 1995
- 15069
-
Electronic Structure of Hf(commat)C28 and Its Ions. 2. CI CalculationsTuan, Debbie Fu-Tai et al. | 1995
- 15074
-
Ab Initio Characterization of Triatomic Bromine Molecules of Potential Interest in Stratospheric ChemistryLee, Timothy J. et al. | 1995
- 15074
-
Ab lnitio Characterization of Triatomic Bromine Molecules of Potential Interest in Stratospheric ChemistryLee, T. J. et al. | 1995
- 15081
-
Influence of Light on the Inorganic Part of the Ruthenium-Catalyzed Belousov-Zhabotinsky ReactionReddy, M. K. Ram / Szlavik, Z. / Nagy-Ungvarai, Zs. / Muller, S. C. et al. | 1995
- 15086
-
Rate Constants for the Reactions CF2(X1A1, v 2)Yamasaki, Katsuyoshi et al. | 1995
- 15086
-
Rate Constants for the Reactions CF~2(X^1A~1, v~2 = 0 and 1) + O Determined by a Photodissociation/Laser-Induced Fluorescence TechniqueYamasaki, K. / Tanaka, A. / Watanabe, A. / Yokoyama, K. et al. | 1995
- 15086
-
Rate Constants for the Reactions CF2(~X1A1, .nu.2 = 0 and 1) + O Determined by a Photodissociation/Laser-Induced Fluorescence TechniqueYamasaki, Katsuyoshi / Tanaka, Aki / Watanabe, Akihiro / Yokoyama, Keiichi / Tokue, Ikuo et al. | 1995
- 15093
-
Diffusion-Induced Instabilities near a CanardBuchholtz, Frank / Dolnik, Milos / Epstein, Irving R. et al. | 1995
- 15102
-
Temperature Dependence of the Gas Phase Reaction Rates of CF3O with Methane, Ethane, and IsobutaneBourbon, C. / Fittschen, C. / Sawerysyn, J. P. / Devolder, P. et al. | 1995
- 15102
-
Temperature Dependence of the Gas Phase Reaction Rates of CF~3O with Methane, Ethane, and lsobutaneBourbon, C. / Fittschen, C. / Sawerysyn, J. P. / Devolder, P. et al. | 1995
- 15108
-
Radical-Pair Dynamics in the Photoreduction of Anthraquinone in Sodium Dodecyl Sulfate Micellar Solution Detected by Pulse-Mode Product-Yield-Detected Electron Spin Resonance: Temperature and Salt DependencePolyakov, Nicolai E. / Okazaki, Masaharu / Konishi, Yoshinari / Toriyama, Kazumi et al. | 1995
- 15114
-
Kinetics and Products of the Reaction of the Vinoxy Radical with O2Zhu, Lei / Johnston, Grace et al. | 1995
- 15120
-
Stable hydrosols of metallic and bimetallic nanoparticles immobilized on imogolite fibersLiz-Marzan, Luis M. / Philipse, Albert P. et al. | 1995
- 15129
-
Growth of Native Cadmium Sulfide Films on CdxHg1-xTe from Aqueous Sulfide SolutionsElfick, P. V. / Berlouis, L. E. A. / MacDonald, S. M. / Affrossman, S. / Rocabois, P. / Tarry, H. et al. | 1995
- 15138
-
Quantification of Aluminum Coordinations in Amorphous Aluminas by Combined Central and Satellite Transition Magic Angle Spinning NMR SpectroscopyKunath-Fandrei, G. / Bastow, T. J. / Hall, J. S. / Jaeger, C. / Smith, M. E. et al. | 1995
- 15142
-
Conductivity and Morphological Studies of TPU-NH4CF3SO3 Polymeric Electrolytesvan Heumen, J. / Wieczorek, W. / Siekierski, M. / Stevens, J. R. et al. | 1995
- 15153
-
Fluorescence Quenching of Pyrene by Copper(II) in Sodium Dodecyl Sulfate Micelles. Effect of Micelle Size as Controlled by Surfactant ConcentrationBales, Barney L. / Almgren, Mats et al. | 1995
- 15163
-
Statistical Distributions and Collision Rates of Additive Molecules in Compartmentalized Liquids Studied by EPR. 2. Sodium Dodecyl Sulfate Micelles, 5-Doxylstearic Acid Ester, and Copper(II)Bales, Barney L. / Stenland, Christopher et al. | 1995
- 15172
-
A Family of Trapped Electron Centers on Alkali Metal Vapor Doped Magnesium OxideMurphy, Damien / Giamello, Elio et al. | 1995
- 15181
-
Broensted Acid Sites and Surface Structure in Zeolites: A High-Resolution 29Si NMR REDOR StudyBlumenfeld, A. L. / Coster, D. / Fripiat, J. J. et al. | 1995
- 15181
-
Brønsted Acid Sites and Surface Structure in Zeolites: A High-Resolution 29Si NMR REDOR StudyBlumenfeld, A.L. et al. | 1995
- 15192
-
Micrometer Size Effect upon the Viscosity of Individual Droplets Dispersed in the Oil/Water/Dodecyl Sulfate System: A Transient Absorption Microspectroscopic StudyFunakura, Seiji / Nakatani, Kiyoharu / Misawa, Hiroaki / Kitamura, Noboru / Masuhara, Hiroshi et al. | 1995
- 15198
-
Surface Evolution of n-Type CdTe in Acidic Medium in the Presence of Ce4+ IonsMarin, F. Iranzo / Vigneron, J. / Lincot, D. / Etcheberry, A. / Debiemme-Chouvy, C. et al. | 1995
- 15208
-
Acid Sites and Hydration Behavior of Dealuminated Zeolite HZSM-5: A High-Resolution Solid State NMR StudyDeng, Feng / Du, Youru / Ye, Chaohui / Wang, Jingzhong / Ding, Tatong / Li, Hexuan et al. | 1995
- 15215
-
Dynamic light scattering study of sodium dodecyl sulfate adsorption on polystyrene latex particles modified with aromatic amino groupsZhao, Jianxi / Brown, Wyn et al. | 1995
- 15222
-
Diffuse Reflectance Spectroscopy of Dehydrated Cobalt-Exchanged Faujasite-Type Zeolites: A New Method for Co2+ SitingVerberckmoes, An A. / Weckhuysen, Bert M. / Pelgrims, Jozefien / Schoonheydt, Robert A. et al. | 1995
- 15229
-
Short Range Order of Sodium-Zinc, Sodium-Copper, and Sodium-Nickel Pyrophosphate Glasses by Diffractometric and Spectroscopic TechniquesBruni, S. / Cariati, F. / Corrias, A. / Gaskell, P. H. / Lai, A. / Musinu, A. / Piccaluga, G. et al. | 1995
- 15236
-
Manipulation of the Ionic Transport Processes during Redox Cycling for Polymer/Polymer Complex Films of Poly(styrenesulfonate)/Poly(xylylviologen)Ostrom, Gregory S. / Buttry, Daniel A. et al. | 1995
- 15241
-
Surface Vibrational Spectroscopy of Organic Counterions Bound to a Surfactant MonolayerDuffy, David C. / Davies, Paul B. / Bain, Colin D. et al. | 1995
- 15247
-
Optical and Electronic Transport Properties of Electrodeposited Thallium(III) Oxide FilmsVan Leeuwen, Robert A. / Hung, Chen-Jen / Kammler, Daniel R. / Switzer, Jay A. et al. | 1995
- 15253
-
Formic Acid Decomposition on the {110}-Microfaceted Surface of TiO2(100): Insights Derived from 18O-Labeling StudiesHenderson, Michael A. et al. | 1995
- 15262
-
An Optically Detected Magnetic Resonance Study of Laser Ablation Grown PbI2 Epitaxial FilmsLifshitz, E. / Bykov, L. / Yassen, M. et al. | 1995
- 15269
-
Two-Dimensional Melting Transitions of Rod-like Molecules Analyzed by Reflection-Absorption Infrared SpectroscopyHostetler, Michael J. / Manner, William L. / Nuzzo, Ralph G. / Girolami, Gregory S. et al. | 1995
- 15279
-
Electrochemical Measurements of Diffusion Coefficients of Redox-Labeled Poly(ethylene glycol) Dissolved in Poly(ethylene glycol) MeltsHaas, Otto / Velazquez, Christopher S. / Porat, Ze'ev / Murray, Royce W. et al. | 1995
- 15285
-
Theoretical Study of the Thermochemistry of Molecules in the Si-O-H SystemAllendorf, Mark D. / Melius, Carl F. / Ho, Pauline / Zachariah, Michael R. et al. | 1995
- 15294
-
Atomization Enthalpies and Enthalpies of Formation of the Molecules GeC2, Ge2C, Ge2C2, and Ge3C from Mass Spectrometric Equilibrium ExperimentsSchmude, Richard W. / Gingerich, Karl A. / Kingcade, Joseph E. et al. | 1995
- 15298
-
Dynamics of finite size lipid bilayer. Narrowing of bilayer edge induced by its non-linear elastic propertiesRaudino, Antonio et al. | 1995
- 15304
-
Subpicosecond Transient Absorption Difference Spectroscopy on the Reaction Center of Photosystem II: Radical Pair Formation at 77 KVisser, H. Matthieu / Groot, Marie-Louise / van Mourik, Frank / van Stokkum, Ivo H. M. / Dekker, Jan P. / van Grondelle, Rienk et al. | 1995
- 15310
-
Relative Orientation of the Optical Transition Dipole and Triplet Axes of the Photosystem II Primary Donor. A Magnetophotoselection StudyBosch, Martin K. / Proskuryakov, Ivan I. / Gast, Peter / Hoff, Arnold J. et al. | 1995