Journal of Chemical Physics

Journal of Chemical Physics, Vol.100, No.2 Entire volume, number list
ISSN: 0021-9606 (Print) 

In this Issue (118 articles)

765 - 767 Identification of Combination and Overtone Bands in the Matrix Infrared-Spectrum at Nc3Nc
Smith AM, Bondybey VE, Horn M, Botschwina P
768 - 774 Optical-Optical Double-Resonance Spectroscopy of the 5(1)Sigmag(+) Shelf State of Na-2 Using an Ultrasensitive Ionization Detector
Tsai CC, Bahns JT, Stwalley WC
775 - 785 Slit Jet Infrared-Spectroscopy of Hydrogen-Bonded N2Hf Isotopomers - Rotational Rydberg-Klein-Rees Analysis and H/D Dependent Vibrational Predissociation Rates
Nesbitt DJ, Lindeman TG, Farrell JT, Lovejoy CM
786 - 796 Picosecond Time-Resolved Multiplex Coherent Anti-Stokes-Raman Scattering Spectroscopy by Using a Streak Camera - Isomerization Dynamics of All-Trans and 9-Cis Retinal in the Lowest Excited Triplet-State
Tahara T, Toleutaev BN, Hamaguchi H
797 - 811 Structural Measurements of Hydrogen-Bonded Van-der-Waals Dimers and Trimers by Rotational Coherence Spectroscopy - 2,5-Diphenyloxadiazole with Argon, Methane, Water, and Alcohols
Troxler T, Smith PG, Stratton JR, Topp MR
812 - 814 Frequency-Selective Heteronuclear Recoupling in Rotating Solids
Bennett AE, Becerra LR, Griffin RG
815 - 823 Magnetic Circular-Dichroism of Na3Eu(Oda)(3)Center-Dot-2Naclo(4)Center-Dot-6H(2)O
Gorllerwalrand C, Verhoeven P, Dolieslager J, Fluyt L, Binnemans K
824 - 830 Millimeter-Wave Spectroscopy of Mgf - Structure and Bonding in Alkaline-Earth Monofluoride Radicals
Anderson MA, Allen MD, Ziurys LM
831 - 839 Rotational Spectrum of a Dark State in 2-Fluoroethanol Using Microwave Radio-Frequency-Infrared Multiple Resonance
Miller CC, Philips LA, Andrews AM, Fraser GT, Pate BH, Suenram RD
840 - 855 Intermolecular Perturbation of a Jahn-Teller System - The Triptycene-Center-Dot-Ne(N) (N=1-3) Van-der-Waals Clusters
Furlan A, Leutwyler S, Riley MJ
856 - 862 Laser-Induced Gratings in Free Jets .3. Saturation-Induced Anharmonic Gratings
Dunlop JR, Rohlfing EA
863 - 876 Far-Infrared Vibration-Rotation-Tunneling Spectroscopy and Internal Dynamics of Methane-Water - A Prototypical Hydrophobic System
Dore L, Cohen RC, Schmuttenmaer CA, Busarow KL, Elrod MJ, Loeser JG, Saykally RJ
877 - 890 Interpretation of New (Cd3F)-C-13 Submillimeter-Wave Laser Lines Using High-Resolution Infrared-Spectroscopy
Lummila J, Halonen L, Lang PT, Schatz W, Renk KF, Koivusaari M
891 - 898 Spectral-Line Shape-Parameters Far HF in a Bath of Ar Are Accurately Predicted by a Potential Inferred from Spectra of the Van-der-Waals Dimer
Green S, Hutson J
899 - 911 Ground-State Dynamics of NO3 - Multimode Vibronic Borrowing Including Thermal Effects
Mayer M, Cederbaum LS, Koppel H
912 - 916 High-Resolution Infrared-Spectra of the Nu(3) Vibron in Natural Sulfur and in the Isotopically Pure S-32 Crystal
Eckert B, Bini R, Jodl HJ, Califano S
917 - 925 Theoretical Determination of Spectral-Lines for the Zn Atom and the Znh Molecule
Jamorski C, Dargelos A, Teichteil C, Daudey JP
926 - 937 Path-Integral Treatment of Multimode Vibronic Coupling
Krempl S, Winterstetter M, Plohn H, Domcke W
938 - 944 Electronic-Structure of Bali .1. Theoretical-Study
Allouche AR, Aubertfrecon M
945 - 949 Electronic-Structure of Bali .2. First Observation of the (Bali)-Li-6,7 Spectrum - Analysis of the (2)(2)Pi-)Chi(2)Sigma(+) System
Dincan J, Effantin C, Bernard A, Fabre G, Stringat R, Boulezhar A, Verges J
950 - 954 New Formulation for Data-Analysis in the Quasi-Elastic Light-Scattering with the Sinusoidal Electric-Field and Its Application to the Spherical Polyions in Aqueous-Solutions
Imaeda T, Kimura Y, Ito K, Hayakawa R
955 - 971 Characterization of the First Excited (1)Pi(1) and Ground Chi(1)Sigma(+) States of Mgxe .2. Analysis of (1)Pi(1)-)Chi(1)Sigma(+) Bound-Free Emission-Spectra
Mccaffrey JG, Funk DJ, Breckenridge WH
972 - 977 Infrared Line-Shapes of Clusters and Microcrystals - Vibrational-Modes Mixed by Dipole Interactions
Ovchinnikov MA, Wight CA
978 - 984 Delocalization Length and Structure of Oligopyrroles and of Polypyrrole from Their Vibrational-Spectra
Zerbi G, Veronelli M, Martina S, Schluter AD, Wegner G
985 - 994 An Extended X-Ray-Absorption Fine-Structure Study of Aqueous-Solutions by Employing Molecular-Dynamics Simulations
Dangelo P, Dinola A, Filipponi A, Pavel NV, Roccatano D
995 - 1010 The Development of the 3P and 4P Valence-Band of Small Aluminum and Gallium Clusters
Cha CY, Gantefor G, Eberhardt W
1011 - 1020 Nonoptical Excited-State Spectroscopy of Chf2Cl - Characterization of Nondipole N-)Sigma-Asterisk Valence Transitions by Angle-Resolved Electron-Energy-Loss Spectroscopy
Ying JF, Leung KT
1021 - 1027 L(2) Calculations of Resonances and Final Rotational Distributions for Hco-)H+co
Wang DS, Bowman JM
1028 - 1034 Acceleration of Intramolecular Vibrational Redistribution by Methyl Internal-Rotation .2. A Comparison of M-Fluorotoluene and P-Fluorotoluene
Timbers PJ, Parmenter CS, Moss DB
1035 - 1039 Unimolecular Reactions in a Spherically Symmetrical Potential .2. Some Tractable Potentials
Klots CE
1040 - 1048 Interference Effects in the Photodissociation of Fno
Cotting R, Huber JR, Engel V
1049 - 1057 Collision-Induced Dissociation of Co-N(+) (N=2-18) with Xe - Bond-Energies of Cationic and Neutral Cobalt Clusters, Dissociation Pathways, and Structures
Hales DA, Su CX, Lian L, Armentrout PB
1058 - 1065 Coupled Chaotic States and Apparent Noise in Experiment and Model
Hauser MJ, Schneider FW
1066 - 1074 Symmetry Considerations in Molecular Photoionization - Fixed Molecule Photoelectron Angular-Distributions in C-3V Molecules as Observed in Photoelectron-Photoion Coincidence Experiments
Reid KL, Powis I
1075 - 1084 The Effect of Reagent Translational Excitation on the Dynamics of the Reaction H+cl-2-)HCl(V’,J’)+cl
Berg PA, Sloan JJ
1085 - 1093 The Coupled 3-Dimensional Wave-Packet Approach to Reactive Scattering
Markovic N, Billing GD
1094 - 1102 Optimal-Control of Molecular-Dynamics via 2-Photon Process
Yan YJ
1103 - 1112 Efficient Polynomial Expansion of the Scattering Greens-Function - Application to the D+h-2(V=1) Rate-Constant
Auerbach SM, Miller WH
1113 - 1127 Photodissociation of CH2 .3. 2-Dimensional Dynamics of the Dissociation of CH2, CD2, and CHD Through the First Excited Triplet-State
Bearda RA, Kroes GJ, Vanhemert MC, Heumann B, Schinke R, Vandishoeck EF
1128 - 1147 Photodissociation of CH2 .4. Predicted Resonance Raman Emission-Spectrum of Photodissociating (CH2)-C-3
Kroes GJ, Vanhemert MC
1148 - 1160 Near-Resonant Versus Nonresonant Chemiluminescent Charge-Transfer Reactions of Atomic Ions with HCl
Glenewinkelmeyer T, Ottinger C
1161 - 1170 Photodissociation Study on Mg+(H2O)(N), N=1-5 - Electronic-Structure and Photoinduced Intracluster Reaction
Misaizu F, Sanekata M, Fuke K, Iwata S
1171 - 1178 Quantum-Mechanical Calculations of Collinear Reactive Collisions at Energies Above the Dissociation Threshold - A Discrete-Variable Representation Approach
Sakimoto K, Onda K
1179 - 1189 Analysis and Extension of a Model for Constraining Zero-Point Energy-Flow in Classical Trajectory Simulations
Peslherbe GH, Hase WL
1190 - 1201 Direct Measurement of Thermal Rate Constants for State-to-State Rotational Energy-Transfer in Collisions of CN(X (2)Sigma(+), V=2, N) with He
Fei R, Lambert HM, Carrington T, Filseth SV, Sadowski CM, Dugan CH
1202 - 1214 Spiral Waves in a Surface-Reaction - Model-Calculations
Bar M, Gottschalk N, Eiswirth M, Ertl G
1215 - 1218 An Ab-Initio Study of Cuco
Bauschlicher CW
1219 - 1225 The Low-Lying States of AlCu and Alag
Bauschlicher CW, Langhoff SR, Partridge H
1226 - 1235 A Generalized Direct Inversion in the Iterative Subspace Approach for Generalized Valence-Bond Wave-Functions
Muller RP, Langlois JM, Ringnalda MN, Friesner RA, Goddard WA
1236 - 1246 Ab-Initio Potential-Energy Surfaces for C2H-)C-2+h Photodissociation
Duflot D, Robbe JM, Flament JP
1247 - 1261 A Deterministic Global Optimization Approach for Molecular-Structure Determination
Maranas CD, Floudas CA
1262 - 1273 Nonempirical Intermolecular Potentials for Urea-Water Systems
Astrand PO, Wallqvist A, Karlstrom G
1274 - 1277 Sign of V-6 Term in Internal-Rotation Potential of Acetaldehyde - Theory and Experiment in Harmony
Goodman L, Leszczynski J, Kundu T
1278 - 1289 Characteristics of Electron Movement in Variational Monte-Carlo Simulations
Sun ZW, Solo MM, Lester WA
1290 - 1296 Comparison of Exact and Approximate Density Functionals for an Exactly Soluble Model
Filippi C, Umrigar CJ, Taut M
1297 - 1302 Frequency-Dependent Polarizabilities of O-2 and Van-der-Waals Coefficients of Dimers Containing O-2
Hettema H, Wormer PE, Jorgensen P, Jensen HJ, Helgaker T
1303 - 1307 A General Parallel Solution to the Integral Transformation and 2nd-Order Moller-Plesset Energy Evaluation on Distributed-Memory Parallel Machines
Limaye AC, Gadre SR
1308 - 1311 Anionic States of Lifli
Gutowski M, Simons J
1312 - 1325 Many-Body Theory of Exchange Effects in Intermolecular Interactions - 2nd-Quantization Approach and Comparison with Full Configuration-Interaction Results
Moszynski R, Jeziorski B, Szalewicz K
1326 - 1337 Theoretical-Studies of He(S-1)+ch(Chi-Pi-2) .1. Ab-Initio Potential-Energy Surfaces
Wagner AF, Dunning TH, Kok RA
1338 - 1349 Theoretical-Studies of He(S-1)+ch(Chi-Pi-2) .2. Fully Ab-Initio Cross-Sections for the Inelastic-Scattering and Comparison with Experiment
Alexander MH, Kearney WR, Wagner AF
1350 - 1352 Electronic-Structure and Potential-Energy Surfaces of the Ethylene Radical-Cation at and in the Vicinity of the 90-Degrees-Twisted Form
Takahashi O, Kikuchi O
1353 - 1365 An Intermediate Neglect of Differential-Overlap Technique for Actinide Compounds
Cory MG, Kostlmeier S, Kotzian M, Rosch N, Zerner MC
1366 - 1374 New Effective Strategy of Generating Gaussian-Type Geminal Basis-Sets for Correlation-Energy Calculations
Bukowski R, Jeziorski B, Szalewicz K
1375 - 1379 Large Basis-Set Calculations Using Brueckner Theory
Kobayashi R, Amos RD, Handy NC
1380 - 1386 A Detailed Study of the Configuration Selected Multireference Configuration-Interaction Method Combined with Perturbation-Theory to Correct the Wave-Function
Engels B
1387 - 1399 On the Vibronic Structure of the Absorption-Spectra of Radical Cations of Some Polycyclic Aromatic-Hydrocarbons
Negri F, Zgierski MZ
1400 - 1413 Characterization of the S-1-S-2 Conical Intersection in Pyrazine Using Ab-Initio Multiconfiguration Self-Consistent-Field and Multireference Configuration-Interaction Methods
Woywod C, Domcke W, Sobolewski AL, Werner HJ
1414 - 1424 Joint Treatment of Ab-Initio and Experimental-Data in Molecular-Force Field Calculations with Tikhonovs Method of Regularization
Kuramshina GM, Weinhold F, Kochikov IV, Yagola AG, Pentin YA
1425 - 1434 A Theoretical-Study of Hyperfine Coupling-Constants
Perera SA, Watts JD, Bartlett RJ
1435 - 1439 A Method of Generating an Effective Orbital Set for Configuration-Interaction Calculations
Huzinaga S, Miyoshi E, Sekiya M
1440 - 1449 Elementary Presentation of Self-Consistent Intermediate Hamiltonians and Proposal of 2 Totally Dressed Singles and Doubles Configuration-Interaction Methods
Malrieu JP, Nebotgil I, Sanchezmarin J
1450 - 1455 Stochastic Dynamics of a Subsystem Interacting with a Solid Body with Application to Diffusive Processes in Solids
Tsekov R, Ruckenstein E
1456 - 1459 Chemical-Potentials of Hard-Sphere Solutes in Hard-Sphere Solvents - Monte-Carlo Simulations and Analytical Approximations
Desouza LE, Stamatopoulou A, Benamotz D
1460 - 1469 Prediction of the Transitional Properties of Liquid-Crystal Dimers - A Molecular-Field Calculation Based on the Surface Tensor Parametrization
Ferrarini A, Luckhurst GR, Nordio PL, Roskilly SJ
1470 - 1476 The Reorientational Behavior of Nematic and Smectic Liquid-Crystals in a Magnetic-Field
Magnuson ML, Fung BM
1477 - 1491 A Molecular Theory of Solvation Dynamics
Raineri FO, Resat H, Perng BC, Hirata F, Friedman HL
1492 - 1497 The Computation of a Potential of Mean Force - Choice of the Biasing Potential in the Umbrella Sampling Technique
Beutler TC, Vangunsteren WF
1498 - 1502 Universal Amplitude Ratios of Surface Tensions Near a Critical-Point in a Liquid Binary-System - Water-2,5 Lutidine
Karad S, Amara M, Laouenan A, Tronelpeyroz E, Bennes R, Privat M
1503 - 1510 Determination of Hydrogen-Bonding in Water Clusters Through Conductivity (DC) Measurements of Aqueous-Solutions of NaCl
Roberts JA, Zhang X, Zheng Y
1511 - 1519 Monomer-Excimer Kinetics in Solution .1. Stochastic Many-Particle Approach
Naumann W, Molski A
1520 - 1527 Monomer-Excimer Kinetics in Solution .2. Statistical Nonequilibrium Thermodynamic Approach
Molski A, Naumann W
1528 - 1541 Diffusion of Ionic Penetrants in Charged Disordered Media
Chakraborty AK, Bratko D, Chandler D
1542 - 1551 Structural Effects of High-Pressure Gas on the Rotator Phases of Normal-Alkanes
Sirota EB, Singer DM, King HE
1552 - 1558 Solvation Dynamics in Electrolyte-Solutions
Chandra A, Patey GN
1559 - 1566 Lattice Field-Theory for Spherical Macroions in Solution - Calculation of Equilibrium Pair Correlation-Functions
Walsh AM, Coalson RD
1567 - 1572 Brownian Relaxation of Rotators in a Driving Field
Cislo J, Dudek MR
1573 - 1577 Orientational Disorder Modeling in Mixed Stack Molecular-Crystals
Rohleder K, Luty T, Kuchta B
1578 - 1588 X-Ray-Scattering in Liquid Water at Pressures of Up to 7.7 Kbar - Test of a Fluctuation Model
Okhulkov AV, Demianets YN, Gorbaty YE
1589 - 1598 About the Nature of Intermolecular 3-Body Forces Ionic Systems - The Case of Protonated Hydrates
Kelterbaum R, Turki N, Rahmouni A, Kochanski E
1599 - 1605 Integral-Equation and Simulation Studies of a Realistic Model for Liquid-Hydrogen Chloride
Martin C, Lomba E, Lombardero M, Lade F, Hoye JS
1606 - 1609 Monte-Carlo Study of the Adsorption Layers of Hard-Spheres Near Large Large Spheres of Varying Radii
Degreve L, Henderson D
1610 - 1619 Short-Time Dynamics of Polymer Liquid and Glass Studied by Molecular-Dynamics Simulation
Roe RJ
1620 - 1629 Ordering in Asymmetric Poly (Ethylene-Propylene)-Poly (Ethylethylene) Diblock Copolymer Thin-Films
Karim A, Singh N, Sikka M, Bates FS, Dozier WD, Felcher GP
1630 - 1633 Interface Roughening and Kinetics of Poisoning in a Surface-Reaction
Kang HC, Weinberg WH
1634 - 1648 Energetics of the Sticking of Cl-2 Onto Ga-Rich GaAs(100) C(8X2), as-Rich GaAs(100) C(2X8), and Stoichiometric GaAs(110)(1X1) Surfaces
Flaum HC, Sullivan DJ, Kummel AC
1649 - 1656 Monte-Carlo Study of Associative Polymer Networks .1. Equation of State
Groot RD, Agterof WG
1657 - 1664 Monte-Carlo Study of Associative Polymer Networks .2. Rheologic Aspects
Groot RD, Agterof WG
1665 - 1672 Observation of 3 Resonances in the 3rd-Harmonic Generation Spectrum of Conjugated Polymers - Evidence for the 4-Level Essential States Model
Mazumdar S, Guo F
1673 - 1683 Ultrafast Nonexponential Dynamics in a Polymer Glass-Forming Liquid
Sengupta A, Fayer MD
1684 - 1692 A Molecular-Dynamics Study of Chain Configurations in N-Alkane-Like Liquids
Brown D, Clarke JH, Okuda M, Yamazaki T
1693 - 1707 Transverse Deuteron Spin Relaxation Studies of a Smectic Liquid-Crystal Polymer - Local Motions, Order Director Fluctuations, and the Glass-Transition Process
Reimer D, Heaton N, Schleicher A, Muller K, Kothe G, Vilfan M
1708 - 1715 Conformational Properties for Linear Nematic and Cholesteric Polymers in the Bend Elastic Chain Model
Varichon L, Tenbosch A
1716 - 1730 Perturbation Density-Functional Theory for Polyatomic Fluids .3. Application to Hard Chain Molecules in Slitlike Pores
Kierlik E, Rosinberg ML
1731 - 1741 Temperature Evolution of the Electronic Band-Structure of the Undoped and Doped Regioregular Analog of Poly(3-Alkylthiophenes) - A Spectroscopic and Theoretical-Study
Barta P, Dannetun P, Stafstrom S, Zagorska M, Pron A
1742 - 1755 Role of Adsorbate Interactions in Surface Dynamics and Phase-Transformations - Mean-Field and Quasi-Chemical Approximation Approaches
Datar A, Prasad SD
1756 - 1758 Triple Intersection of H-3 Resonance States
Orel AE, Kulander KC, Lengsfield BH
1759 - 1760 2 Isomers of SF5-Center-Dot and Sf5+ - Structures and Energetics
Becker H, Hrusak J, Schwarz H, Bohme DK
1761 - 1764 The Existence of Structure Progressions and Wetting Transitions in Intermediately Disordered Monolayer Alkyl Chain Assemblies
Allara DL, Parikh AN, Judge E
1765 - 1766 Hydrogen-Atom Migration on a Diamond (111) Surface
Chang XY, Thompson DL, Raff LM
1767 - 1768 Electron Detachment Reactions of Fluorinated Carbanions with Atomic-Hydrogen
Morris RA, Viggiano AA, Paulson JF
1769 - 1770 Connectivity in a Binary Mixture or Randomly Centered Spheres with Selective Particle Clustering
Bresme F, Abascal JL
1771 - 1772 Gas-Phase Clustering of N-2 Molecules on to Tio+ - Comparison with Ti+ and Evidence for the Octahedral Structure of Tio+(N-2)(5)
Daly GM, Elshall MS
1773 - 1774 Comment on Non-Rice-Ramsperger-Kassel-Marcus Dynamics and the Statistics of Reaction-Rates in Chaotic Systems
Wilkie J, Brumer P
1775 - 1776 Comment on N-14 Spin Relaxation of N-2 in Buffer Gases - Cross-Sections for Molecular-Reorientation and Rotational Energy-Transfer
Temkin SI, Burshtein AI
1777 - 1778 Response to Comment on N-14 Spin Relaxation Studies of N-2 in Buffer Gases - Cross-Sections for Molecular-Reorientation and Rotational Energy-Transfer
Jameson CJ, Jameson AK, Terhorst MA
1779 - 1779 Gradient Extremals and Steepest Descent Lines on Potential-Energy Surfaces (Vol 98, Pg 9707, 1993)
Sun JQ, Ruedenberg K
1780 - 1780 Fluxionality and Low-Lying Transition Structures of the Water Trimer (Vol 99, Pg 5228, 1993)
Schutz M, Burgi T, Leutwyler S, Burgi HB