Journal of Chemical Physics

Journal of Chemical Physics, Vol.103, No.1 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (55 articles)

1 - 5	Partially Coherent Anti-Stokes-Raman Scattering (Pcars) - A Comparative Band-Shape Analysis of the Spontaneous Raman and Pcars Spectra of Toluene Ishibashi T, Hamaguchi H
6 - 13	Absolute Integrated Cross-Sections for Some O-2 Herzberg-I Transitions Near 248-249 nm Bao ZC, Yu WO, Barker JR
14 - 19	Study of the Overtone C-O Stretching Band of Methanol by Multiple Resonance Spectroscopy Xu LH, Andrews AM, Fraser GT
20 - 36	Ab-Initio Study of Styrene and Beta-Methyl Styrene in the Ground and in the 2 Lowest Excited Singlet-States Zilberg S, Haas Y
37 - 47	S-0(--)S-1 Transition of Trans-Beta-Methyl Styrene - Vibronic Structure and Dynamics Haas Y, Kendler S, Zingher E, Zuckermann H, Zilberg S
48 - 53	Electronic Absorption-Spectra of Linear Carbon Chains in Neon Matrices .1. C-6(-), C-6, and C6H Forney D, Fulara J, Freivogel P, Jakobi M, Lessen D, Maier JP
54 - 59	Electronic Absorption-Spectra of Linear Carbon Chains in Neon Matrices .2. C-2N(-), C-2N, and C2Nh Freivogel P, Fulara J, Jakobi M, Forney D, Maier JP
60 - 66	Coupled-Channel Bound-States Calculations for Alkali Dimers Using the Fourier Grid Method Dulieu O, Julienne PS
67 - 79	Laser-Induced Fluorescence Studies of Jet-Cooled S2O - Axis-Switching and Predissociation Effects Zhang QG, Dupre P, Grzybowski B, Vaccaro PH
80 - 89	Electronic and Vibrational-Excitation of Acrylonitrile by Low and Intermediate-Energy Electrons Mottetollet F, Messina D, Hubinfranskin MJ
90 - 95	Pure Rotational Spectrum of FeCo Kasai Y, Obi K, Ohshima Y, Endo Y, Kawaguchi K
96 - 103	Direct Simulation of Slow-Motion Electron-Spin-Resonance Spectra by Solving the Stochastic Liouville Equation in the Time-Domain with Stochastic Dynamics in the Form of Trajectories Usova N, Westlund PO, Fedchenia II
104 - 112	Predissociation Mechanism and Spin-Rotation Constant of the Hco (B)over-Tilde(2)A’ State Lee SH, Chen IC
113 - 120	Cavity Ringdown Laser-Absorption Spectroscopy and Time-of-Flight Mass-Spectroscopy of Jet-Cooled Silver Silicides Scherer JJ, Paul JB, Collier CP, Saykally RJ
121 - 135	Perturbation Treatment of Pump-Probe Laser-Molecule Interactions - An Application to the Fluorescence from the S-1 State of Alpha-Npo Jagatap BN, Meath WJ
136 - 143	Coherence Transfer in 3-Level Systems - Controlled Violation of Adiabaticity and Antiparallel Double Resonant Irradiation Ermakov VL, Bodenhausen G
144 - 149	Guided-Ion Beam Measurements of the O+(S-4)+xe Charge-Transfer Reaction Bastian MJ, Dressler RA, Murad E
150 - 161	Ab-Initio Molecular-Dynamics Simulation of the Solvation and Transport of Hydronium and Hydroxyl Ions in Water Tuckerman M, Laasonen K, Sprik M, Parrinello M
162 - 181	An Explanation of the Highly Efficient Magnetic Quenching of Fluorescence in Intermediate Case Molecules Based on 2 Manifold Models Kono H, Ohta N
182 - 193	Analytical Semiclassical Calculation of Photodissociation of the HCl Molecule Duhoo T, Pouilly B
194 - 204	Photodissociation Dynamics of NO2 at Moderately High-Energy (Lambda=309.1Nm,E(Avail)=7222Cm(-1)) Knepp PT, Terentis AC, Kable SH
205 - 210	Neutral Rare-Gas Containing Charge-Transfer Molecules in Solid Matrices .2. Hxeh, Hxed, and Dxed in Xe Pettersson M, Lundell J, Rasanen M
211 - 218	Electron-Impact Ionization of the SO2 Molecule Basner R, Schmidt M, Deutsch H
219 - 226	Theoretical Investigation of the Relation of Hole-Burning Properties and the Electronic-Structure of Chemisorbed Dyes Frank I, Grimme S, Peyerimhoff SD, Sauter B, Brauchle C
227 - 233	Application of a Distributed Nucleus Approximation in Grid Based Minimization of the Kohn-SHAM Energy Functional Iyer KA, Merrick MP, Beck TL
234 - 244	Ab-Initio Potential Curves, Dipole-Moments, and Transition-Probabilities for the Low-Lying States of Arsenic Oxide Alekseyev AB, Sannigrahi AB, Liebermann HP, Buenker RJ, Hirsch G
245 - 252	Spectroscopic Properties for the Ground-States of auf, Auf+, Auf2, and Au2F2 - A Pseudopotential Scalar Relativistic Moller-Plesset and Coupled-Cluster Study Schwerdtfeger P, Mcfeaters JS, Liddell MJ, Hrusak J, Schwarz H
253 - 265	Potential-Energy Surfaces of C-2V and D-3H Ozone Complexes with Li+ Alcami M, Cooper IL, Mo O, Yanez M
266 - 273	The Ozonide Anion - A Theoretical-Study Borowski P, Roos BO, Racine SC, Lee TJ, Carter S
274 - 280	The Shape of the Ground and Lowest 2 Excited-States of H2No Ricca A, Weber J, Hanus M, Ellinger Y
281 - 298	Alternative Ansatz in Single Reference Coupled-Cluster Theory .3. A Critical Analysis of Different Methods Szalay PG, Nooijen M, Bartlett RJ
299 - 308	Towards an Analytical 3-Body Potential of Ar2Cl- Burcl R, Cybulski SM, Szczesniak MM, Chalasinski G
309 - 320	The Performance of the Explicitly Correlated Coupled-Cluster Method .1. The 4-Electron Systems Be, Li-, and Lih Noga J, Tunega D, Klopper W, Kutzelnigg W
321 - 332	Ab-Initio Potential-Energy Surface, Infrared-Spectrum, and 2nd Virial-Coefficient of the He-Co Complex Moszynski R, Korona T, Wormer PE, Vanderavoird A
333 - 347	Structure and Spectroscopy of (HCN)(N) Clusters - Cooperative and Electronic Delocalization Effects in C-H-Center-Dot-Center-Dot-Center-Dot-N Hydrogen-Bonding King BF, Weinhold F
348 - 352	Quadrupole Coupling-Constants in Linear (HCN)(N) Clusters - Theoretical and Experimental-Evidence for Cooperativity Effects in C-H-Center-Dot-Center-Dot-Center-Dot-N Hydrogen-Bonding King BF, Farrar TC, Weinhold F
353 - 359	Bidimensional Tunneling Splitting in the (A)over-Tilde(1)B(2) and (X)over-Tilde(1)A(1) States of Tropolone Paz JJ, Moreno M, Lluch JM
360 - 364	Numerical-Solution of the Hypernetted-Chain Equation for a Solute of Arbitrary Geometry in 3 Dimensions Beglov D, Roux B
365 - 370	Characterization of Order Fluctuations in Liquid-Crystals by the Dipolar-Correlation Effect of the Stimulated Echo Grinberg F, Kimmich R
371 - 376	Dynamics of a Glass-Forming System - B-11 NMR of B2O3 Maekawa H, Inagaki Y, Shimokawa S, Yokokawa T
377 - 392	The Magnitude and Location of the Surface-Tension of Curved Interfaces Baus M, Lovett R
393 - 416	Microscopic Theory of Liquid-Crystal Rheology Sarman S
417 - 431	Electrolytes at Charged Interfaces - Integral-Equation Theory for 2-2-Model and 1-1-Model Electrolytes Booth MJ, Eaton AC, Haymet AD
432 - 439	Inference of Crystal Properties from Cluster Magnitudes Francisco E, Recio JM, Pendas AM
440 - 450	Dielectric-Spectroscopy of a Polymerizing Liquid and the Evolution of Molecular-Dynamics with Increase in the Number of Covalent Bonds Parthun MG, Johari GP
451 - 460	Electron-Stimulated Oxidation of the Ni(111)Surface - Dependence on Substrate-Temperature and Incident Electron-Energy Stirniman MJ, Li W, Sibener SJ
461 - 464	Photochemistry of Adsorbed Molecules .14. Photoejection CH(3)X (X=cl, Br) from Ch3Br/LiF(001) Heyd DV, Jensen ET, Polanyi JC
465 - 473	Electrostatic Interactions Between Particles with an Ion-Penetrable Charged Membrane Hsu JP, Kuo YC
474 - 476	Photoneutral Photoneutral Coincidence Study of Ar-3(+) Jones AB, Buxey AL, Jukes PR, Smith JA, Stace AJ
477 - 480	Direct Femtosecond Observation of the Transient Intermediate in the Alpha-Cleavage Reaction of (CH3)(2)Co to 2Ch(3)+co - Resolving the Issue of Concertedness Kim SK, Pedersen S, Zewail AH
481 - 484	Integral-Equation Algorithm for Fluids of Fully Anisotropic Molecules Lado F, Lomba E, Lombardero M
485 - 486	Preferential Molecular Ordering at the Surface of a Liquid Perfluoropolyether Revealed by X-Ray Photoelectron-Spectroscopy Ramasamy S, Pradeep T
487 - 488	Quantum Limitations on Dynamics and Control Shapiro M, Brumer P
489 - 489	Preparation and Decay of Alignment in N-2 (V=1) (Vol 101, Pg 4682, 1994) Sitz GO, Farrow RL
489 - 489	Steady-State Thermodynamics for Homogeneous Chemical-Systems (Vol 101, Pg 10866, 1994) Koutselos AD