Ab Initio Study of Electronic Structure and Jahn-Teller Effect of Tetrachloromethane Cation (English)
National licence
- New search for: Garcia de la Vega, J. M.
- New search for: Mena, E.
- New search for: Miguel, B.
- New search for: San Fabian, E.
- New search for: Garcia de la Vega, J. M.
- New search for: Mena, E.
- New search for: Miguel, B.
- New search for: San Fabian, E.
In:
The Journal of Physical Chemistry
;
99
, 32
;
12135-12140
;
1995
-
ISSN:
- Article (Journal) / Electronic Resource
-
Title:Ab Initio Study of Electronic Structure and Jahn-Teller Effect of Tetrachloromethane Cation
-
Additional title:J. Phys. Chem.
-
Contributors:Garcia de la Vega, J. M. ( author ) / Mena, E. ( author ) / Miguel, B. ( author ) / San Fabian, E. ( author )
-
Published in:The Journal of Physical Chemistry ; 99, 32 ; 12135-12140
-
Publisher:
- New search for: American Chemical Society
-
Publication date:1995-08-01
-
ISSN:
-
Coden:
-
DOI:
-
Type of media:Article (Journal)
-
Type of material:Electronic Resource
-
Language:English
-
Source:
Table of contents – Volume 99, Issue 32
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.
- 12065
-
Influence of Supramolecular Template Organization on MineralizationLitvin, Arkadi L. / Samuelson, Lynne A. / Charych, Deborah H. / Spevak, Wayne / Kaplan, David L. et al. | 1995
- 12069
-
Evidence of Hierarchical Order in an Amphiphilic Graft Terpolymer GelIlzhoefer, John R. / Broom, Brian C. / Nepa, Stephen M. / Vogler, Erwin A. / Khan, Saad A. / Spontak, Richard J. et al. | 1995
- 12072
-
Ultrafast Electron-Transfer and Recombination Processes on Copper Phthalocyanine Solid-Water Interface As Revealed by Picosecond Regular Reflection SpectroscopyIchikawa, Musubu et al. | 1995
- 12072
-
Ultrafast Electron-Transfer and Recombination Processes in Copper Phthalocyanine Solid/Water Interface As Revealed by Picosecond Regular Reflection SpectroscopyIchikawa, Musubu / Fukumura, Hiroshi / Masuhara, Hiroshi et al. | 1995
- 12076
-
An Estimate of Shape-Related Contributions to Hydrophobic Gibbs EnergiesSanchez-Ruiz, Jose M. et al. | 1995
- 12081
-
Representation of C60 Solubilities in Terms of Computed Molecular Surface Electrostatic Potentials and AreasMurray, Jane S. / Gagarin, Sergei G. / Politzer, Peter et al. | 1995
- 12084
-
IR Multiphoton Dissociation Dynamics of Octafluorocyclopentene: Time-Resolved Observation of Concerted Products :CF2 and HexafluorobutadieneChowdhury, P. K. et al. | 1995
- 12090
-
The 3s Rydberg Spectra and Conformations of Methyl-Substituted CyclopentanonesPotts, Alan R. / Nesselrodt, Dale R. / Baer, Tomas / Driscoll, Jeffrey W. / Bays, J. Philip et al. | 1995
- 12099
-
Dehydration Reactions of Metal Cations (Fe+ and LaO+) with Methanol ClustersLu, Wenyun / Huang, Rongbin / Yang, Shihe et al. | 1995
- 12103
-
Photoinduced Proton Transfers in 3,5-Di-tert-butylsalicylic AcidLaw, Kock-Yee / Shoham, Jonatham et al. | 1995
- 12109
-
Inclusion Complexes and the Room-Temperature Phosphorescence of 6-Bromo-2-naphthol in Aerated Aqueous Solution of .alpha.-CyclodextrinHamai, Sanyo et al. | 1995
- 12109
-
Inclusion Complexes and the Room-Temperature Phosphorescence of 6-Bromo-2-naphthol in Aerated Aqueous Solution of a-CyclodextrinHamai, Sanyo et al. | 1995
- 12109
-
Inclusion Complexes and the Room-Temperature Phosphorescence of 6-Bromo-2-naphthol in Aerated Aqueous Solution of -CyclodextrinHamai, S. et al. | 1995
- 12115
-
Infrared Spectral Properties of the Naphthalene Cation: Radiative Cooling Kinetics Experiments and Density Functional CalculationsHo, Yen-Peng / Yang, Yu-Chuan / Klippenstein, Stephen J. / Dunbar, Robert C. et al. | 1995
- 12125
-
Potential Energy Surface and Vibrational Frequencies of Carbonic AcidWight, Charles A. / Boldyrev, Alexander I. et al. | 1995
- 12131
-
Infrared Spectra of FeH, FeH2, and FeH3 in Solid ArgonChertihin, George V. / Andrews, Lester et al. | 1995
- 12135
-
Ab Initio Study of Electronic Structure and Jahn-Teller Effect of Tetrachloromethane CationGarcia de la Vega, J. M. / Mena, E. / Miguel, B. / San Fabian, E. et al. | 1995
- 12141
-
Electronic Transition Oscillator Strength by the Extended Hückel Molecular Orbital MethodCalzaferri, Gion et al. | 1995
- 12141
-
Electronic Transition Oscillator Strength by the Extended Hueckel Molecular Orbital MethodCalzaferri, Gion / Rytz, Ruedi et al. | 1995
- 12151
-
Acidity of Halogenated Alcohols and Silanols: Competition of Electronegativity and Softness in Second and Higher Row AtomsDamoun, S. / Langenaeker, W. / Van de Woude, G. / Geerlings, P. et al. | 1995
- 12158
-
Hydrogen Bond Vibrations of Substituted Phenols with Trimethylamine N-Oxide. Comparison of Quantum Chemical Calculations with Experimental ResultsRabold, Arno / Zundel, Georg et al. | 1995
- 12164
-
Origin of the Unexpected sp vs. sp2 Hybridization of Carbon in the MB2C (M = Th, U) Solid-State Phases: An ab Initio Study of the [H2BCBH2]4- Model and Isoelectronic SpeciesFrapper, Gilles / Halet, Jean-Francois / Saillard, Jean-Yves / Volatron, Francois et al. | 1995
- 12164
-
Origin of the Unexpected sp vs sp2 Hybridization of Carbon in the MB2C (MFrapper, Gilles et al. | 1995
- 12170
-
G1 and G2 Study of the Triplet [H4, C, O, P]+ Potential Energy Surface. Mechanisms for the Reaction of P+ (3P) with MethanolCruz, Elso M. / Lopez, Xabier / Ugalde, Jesus M. / Cossio, Fernando P. et al. | 1995
- 12179
-
Quenching of PF(b^1^+) by F~2, Cl~2, Br~2, NO~2, and N~2O. The Energy-Pooling Reaction with NF(b^1^+) and the Thermochemistry of PF, PCl, and PBrZhao, Y. / Setser, D. W. et al. | 1995
- 12179
-
Quenching of PF(b1.SIGMA.+) by F2, Cl2, Br2, NO2, and N2O. The Energy-Pooling Reaction with NF(b1.SIGMA.+) and the Thermochemistry of PF, PCl, and PBrZhao, Yao / Setser, D. W. et al. | 1995
- 12179
-
Quenching of PF(b1S+) by F2, Cl2, Br2, NO2, and N2O. The Energy-Pooling Reaction with NF(b1S+) and the Thermochemistry of PF, PCl, and PBrZhao, Yao et al. | 1995
- 12188
-
Reaction of Methylbutenol with the OH Radical: Mechanism and Atmospheric ImplicationsRudich, Yinon / Talukdar, Ranajit / Burkholder, James B. / Ravishankara, A. R. et al. | 1995
- 12188
-
Reaction of Methylbutenol with Hydroxyl Radical: Mechanism and Atmospheric ImplicationsRudich, Yinon et al. | 1995
- 12195
-
Formation, Stability, and Reactivity of Radical Cations of 1-Bromo-n-chloroalkanes in Aqueous Solution: A Pulse Radiolysis StudyMaity, D. K. / Mohan, H. / Chattopadhyay, S. / Mittal, J. P. et al. | 1995
- 12204
-
A Low-Pressure Study of C2N2 Ion ChemistryMcEwan, Murray J. / Anicich, Vincent G. et al. | 1995
- 12209
-
Role of Polarization Caging in the SN1 Reaction of Diphenylmethyl Chloride: A Picosecond Kinetic StudyDeniz, Ashok A. / Li, Bulang / Peters, Kevin S. et al. | 1995
- 12214
-
FT-IR Investigation of Polarizable, Strong Hydrogen Bonds in Sulfonic Acid Sulfoxide, Phosphine Oxide, and Arsine Oxide Complexes in the Middle- and Far-Infrared RegionLangner, Roland / Zundel, Georg et al. | 1995
- 12220
-
Theoretical Treatment of the Spectroscopical Data of a Strong Hydrogen Bond with a Broad Single-Minimum Proton PotentialGeppert, S. et al. | 1995
- 12220
-
Theoretical Treatment of Spectroscopic Data for a Strong Hydrogen Bond with a Broad Single-Minimum Proton PotentialGeppert, S. / Rabold, A. / Zundel, G. / Eckert, M. et al. | 1995
- 12225
-
The AlO + O2 Reaction System over a Wide Temperature RangeBelyung, David P. / Fontijn, Arthur et al. | 1995
- 12231
-
Photochemical Desorption of Monoatomic Al and Na Ions from Na-Y Zeolites by Near Threshold Pulsed Laser Ablation Studied with the Mass Spectrometric Time-of-Flight TechniqueIshigoh, Kazutaka et al. | 1995
- 12231
-
Photochemical Desorption of Monoatomic Al and Na Ions from Na-Y Zeolites by Near Threshold Pulsed Laser Ablation Studied with Mass Spectrometric Time-of-Flight TechniqueIshigoh, Kazutaka / Tanaka, Katsumi / Zhuang, Quan / Nakata, Ryohei et al. | 1995
- 12239
-
Molecular Mechanics Parameters for Fluorine-Substituted Methanes from Ab Initio Quantum CalculationsPalmer, Bruce J. / Anchell, James L. et al. | 1995
- 12249
-
Solid State NMR Studies of the Molecular Motion of Pyridine in its Tri-o-thymotide ClathrateFacey, G. A. / Ratcliffe, C. I. / Ripmeester, J. A. et al. | 1995
- 12257
-
Temperature-programmed desorption and infrared studies of D2O ice on self-assembled alkanethiolate monolayers: influence of substrate wettabilityEngquist, I. / Lundstroem, I. / Liedberg, B. et al. | 1995
- 12268
-
Time-Resolved Resonance Raman Spectroscopy and Raman Spectroelectrochemistry of (CO)5W[4,4'-bpy]W(CO)5, Probed in the Visible and Near InfraredMcNicholl, Ruth-Anne / McGarvey, John J. / Al-Obaidi, Ala H. R. / Bell, Steven E. J. / Jayaweera, Pradeep M. / Coates, Colin G. et al. | 1995
- 12274
-
Luminescence Studies on Intrazeolitic Migration of Tb(III) Ions by Thermal Treatments. 1. FAU-Type ZeolitesHong, Suk Bong / Shin, Eun Woo / Moon, Sang Heup / Pyun, Chong-Hong / Kim, Chang-Hong / Uh, Young Sun et al. | 1995
- 12278
-
Luminescence Studies on Intrazeolitic Migration of Tb(III) Ions by Thermal Treatments. 2. LTA-Type ZeolitesHong, Suk Bong / Shin, Eun Woo / Moon, Sang Heup / Pyun, Chong-Hong / Kim, Chang-Hong / Uh, Young Sun et al. | 1995
- 12283
-
Effect of an Input Harmonic Perturbation on the Threshold of Linearity of Current-Time Relationship in Electrochemical Cells. A Network ApproachHorno, J. / Moya, A. A. / Gonzalez-Caballero, F. et al. | 1995
- 12288
-
In Situ STM and IR Studies of Phenoxide Electrooxidation on Au(111) Electrode SurfacesRichard, Katherine M. / Gewirth, Andrew A. et al. | 1995
- 12294
-
Redox Activity of Vinylferrocene Copolymers by Electron Hopping Reaction in the Absence of Fluid SolventsWatanabe, Masayoshi / Nagasaka, Hideaki / Ogata, Naoya et al. | 1995
- 12301
-
Photoinduced Charge Transfer in Excited C60Zhang, G. P. / Fu, R. T. / Sun, X. / Lee, K. H. / Park, T. Y. et al. | 1995
- 12305
-
Morphology Control in Electrochemically Grown Conducting Polymer Films. 3. A Comparative Study of Polyaniline Films on Bare Gold and on Gold Pretreated with p-AminothiophenolSabatani, Eyal / Gafni, Yael / Rubinstein, Israel et al. | 1995
- 12312
-
Chemically Specific Surface Diffusion of Oxygen through a Porous Membrane Modified with Cobalt Porphyrin on Its Pore SurfaceNishide, Hiroyuki / Suzuki, Takayuki / Nakagawa, Ryuji / Itakura, Keita / Tsuchida, Eishun et al. | 1995
- 12318
-
Influence of Water Structure on Solvolysis in Water-in-Oil MicroemulsionsGarcia-Rio, L. / Leis, J. R. / Iglesias, E. et al. | 1995
- 12327
-
Sorptive Properties and Reactivity of Cloverite Single Crystals Studied by in Situ FTIR MicroscopyMueller, G. / Eder-Mirth, G. / Kessler, H. / Lercher, J. A. et al. | 1995
- 12332
-
Mobility of Acidity: Studies of Effects of Temperature on Acid-Bridged Groups in Dealuminated Mordenite by in Situ IR SpectroscopyShen, Jian-Ping / Sun, Tie / Yang, Xu-Wei / Jiang, Da-Zhen / Min, En-Ze et al. | 1995
- 12332
-
Mobility of Acidity: Study of the Effect of Temperature on Acid-Bridged Groups in Dealuminated Mordenite by in Situ IR SpectroscopyShen, Jian-Ping et al. | 1995
- 12335
-
Observation of Droplet Growth and Coalescence in Phase-Separating Lennard-Jones FluidsPeters, Guenther H. / Eggebrecht, John et al. | 1995
- 12341
-
Solid-State 17O Magic-Angle and Dynamic-Angle Spinning NMR Study of the SiO2 Polymorph CoesiteGrandinetti, P. J. / Baltisberger, J. H. / Farnan, I. / Stebbins, J. F. / Werner, U. / Pines, A. et al. | 1995
- 12349
-
Nature of the Relaxation Processes in the Supercooled Liquid and Glassy States of Some CarbohydratesGangasharan / Murthy, S. S. N. et al. | 1995
- 12355
-
Statistical Mechanical Theory of the Partial and Other Derivatives of Thermodynamic Quantities of Liquid MixturesOhba, Masaharu / Nomura, Hiroyasu et al. | 1995
- 12363
-
Equations of State for Hard-Sphere ChainsSadus, Richard J. et al. | 1995
- 12367
-
Comment on "Intrazeolite electron transport mechanism"Baker, Mark D. / Senaratne, Chandana / McBrien, Michael et al. | 1995
- 12368
-
Reply to "Comment on intrazeolite electron transport mechanism". The importance of the manner to prepare zeolite-modified electrodesLi, Jian-wei / Pfanner, Klaus / Calzaferri, Gion et al. | 1995
- 12370
-
Vapor Pressures of Dilute Aqueous tert-Butyl Alcohol: How Dilute Is the Henry's Law Region? [Erratum to document cited in CA122:249399]Koga, Yoshikata et al. | 1995
- 12370
-
Vapor Pressures of Dilute Aqueous tert-Butyl Alcohol: How Dilute Is the Henry's Law Region?Koga, Yoshikata et al. | 1995