Journal of Chemical Physics

Journal of Chemical Physics, Vol.101, No.1 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (95 articles)

1 - 14	The Vibrational-Spectra of Krypton and Xenon Difluoride - High-Resolution Infrared Studies and Ab-Initio Calculations Burger H, Kuna R, Ma S, Breidung J, Thiel W
15 - 19	Raman Q-Branch Line-Shapes as a Test of a H-2-Ar Intermolecular Potential Green S, Schwenke DW, Huo WM
20 - 24	Multivibron Infrared-Absorption in Solid CD4 Calvani P, Nucara A, Salvaggio MC, Lupi S
25 - 30	Optical-Optical Double-Resonance Spectroscopy of the 4(1)Sigma(+)(G) Shelf State of Na-2 Using an Ultrasensitive Ionization Detector Tsai CC, Bahns JT, Wang H, Whang TJ, Stwalley WC
31 - 38	Determination of the Spectroscopic Constants of a Dark Vibrational-State - Fermi and Coriolis Perturbations in the Nu-2 Band of Formyl Chloride Joo DL, Clouthier DJ, Merer AJ
39 - 61	Infrared-Spectrum and Potential-Energy Surface of He-Co Chuaqui CE, Leroy RJ, Mckellar AR
62 - 73	Vacuum-Ultraviolet Fourier-Transform Spectroscopy of the Delta(0,0) and Beta(7,0) Bands of No Murray JE, Yoshino K, Esmond JR, Parkinson WH, Sun Y, Dalgarno A, Thorne AP, Cox G
74 - 79	Fourier-Transform Emission-Spectroscopy of Hfh and HFD Ram RS, Bernath PF
80 - 85	Theoretical-Study of the Electronic States of Alb Bauschlicher CW, Langhoff SR
86 - 94	Photoelectron-Spectroscopy of the Multiphoton Ionization and Above-Threshold Ionization of HI at 532-nm and 355-nm Zietkiewicz CJ, Gu YY, Farkas AM, Eden JG
95 - 103	Absorption, Fluorescence, and Raman-Spectra of Mass-Selected Rhenium Dimers in Argon Matrices Hu ZD, Dong JG, Lombardi JR, Lindsay DM, Harbich W
104 - 110	Laser-Reduced Fluorescence Spectroscopy on Predissociated Co Triplet-States Mellinger A, Vidal CR
111 - 117	Solid-State Dynamic Processes in Complex-Systems Analyzed by 2-Dimensional Isotropic-Anisotropic Correlation Nuclear-Magnetic-Resonance Frydman L, Vallabhaneni S, Lee YK, Emsley L
118 - 125	Solvent Interaction with the (2P3S) Rydberg State of Hexamethylenetetramine - Energetics and Relaxation Dynamics Shang QY, Dion C, Bernstein ER
126 - 138	Rydberg Excited Iodine-Argon Van-der-Waals Complexes Studied by Resonance-Enhanced Multiphoton Ionization Spectroscopy Cockett MC, Goode JG, Maier RR, Lawley KP, Donovan RJ
139 - 145	Vibration-Rotation-Tunneling Spectroscopy of Ar-NH3 Schmuttenmaer CA, Loeser JG, Saykally RJ
146 - 173	Spectroscopic Determination of the Intermolecular Potential-Energy Surface for Ar-NH3 Schmuttenmaer CA, Cohen RC, Saykally RJ
174 - 177	Study of Collisional Effects on Band Shapes of the Nu(1)/2-Nu(2) Fermi Dyad in CO2 Gas with Stimulated Raman-Spectroscopy .3. Modeling of Collisional Narrowing and Study of Vibrational Shifting and Broadening at High-Temperature Lavorel B, Millot G, Fanjoux G, Saintloup R
178 - 186	The Structure of the Hccco Radical - Rotational Spectra and Hyperfine-Structure of Monosubstituted Isotopomers Cooksy AL, Watson JK, Gottlieb CA, Thaddeus P
187 - 193	Photocurrent Excitation-Spectra of Methyl-Iodide Methane Fluid Mixtures Krasinsky A, Shechter R, Steinberger IT, Gurtler P, Meyer J
194 - 200	Rydberg Spectra of Arh - Bound-Bound Interactions, Predissociation, and Radiative Lifetimes of the Rydberg States Theodorakopoulos G, Petsalakis ID
201 - 222	Laser Spectroscopy of the (A)over-Tilde (2)Pi-(X)over-Tilde (2)Sigma(+) Transition of Sroh - Deperturbation Analysis of K-Resonance in the Upsilon(2)=1 Level of the (A)over-Tilde (2)Pi State Presunka PI, Coxon JA
223 - 230	Absorption-Spectrum Calculations for a System Having a Few Quantum and Many Classical Degrees of Freedom Blake NP, Metiu H
231 - 237	Axial Asymmetry in the Nuclear-Magnetic-Resonance Spectra of Deuterated Methyl-Groups - An Alternative Explanation Wann MH, Harbison GS
238 - 245	Multiphoton Ionization Spectroscopy of Hydrogen Iodide Wright SA, Mcdonald JD
246 - 254	Photoinduced Large-Amplitude Motion as Mechanism for Pure Electronic Dephasing and Its Manifestation in Continuous-Wave and Time-Resolved Spectroscopy Stock G
255 - 264	A Model of Reversible-Reaction with Slow Intramolecular Relaxation Kurzynski M
265 - 270	Radiative Lifetimes of HBr+ and Dbr+ ((2)Pi(1/2), Upsilon=0,1) Jullien S, Lemaire J, Fenistein S, Heninger M, Mauclaire G, Marx R, Chambaud G, Rosmus P
271 - 282	Hemiquantal Study of the Isotopic Exchange-Reaction O-18(P-3)+(Oo)-O-16-O-16((3)Sigma(-)(G))-)(Oo)-O-18-O-16((3)Sigma(-)(G))+o-16(P-3) Chajia M, Jacon M
283 - 291	Vibrational Predissociation Dynamics of the (Hebr2)-Br-79, Van-der-Waals Molecule Near the B-State Dissociation Limit - Binding-Energies, Lifetimes, and Implications for the Rare Gas-Halogen Potential Jahn DG, Clement SG, Janda KC
292 - 298	Photochemistry of Ozone in Solid Mixtures with Argon Benderskii AV, Wight CA
299 - 306	Diffusion-Controlled Reactions .2. An Approach Based on a Generalized Diffusion Equation Dong W, Andre JC
307 - 321	A Model Classical-Study of Nonlinear Resonance and Torsional Isomerization Schranz HW, Collins MA
322 - 327	Kinetic-Energy Release in the Dissociation of Co2+ Masuoka T
328 - 337	Formation of Arcl(B,C), Ar(P-3(2)), and Cl-Asterisk by the 3-Body Ionic-Recombination Reaction of Ar+(P-2(3/2))+cl(-)+ar Tsuji M, Ide M, Muraoka T, Nishimura Y
338 - 342	Electronic Excitation of Silane (SiH4) by Low-Energy-Electron Impact Winstead C, Pritchard HP, Mckoy V
343 - 355	Solvation Effects on Association Reactions in Microclusters - Classical Trajectory Study of H+cl(Ar)(N) Schmidt B, Gerber RB
356 - 365	Stationary-Points on the S(1) Potential-Energy Surface of C2H2 Stanton JF, Huang CM, Szalay PG
366 - 370	The Atomic Softness Matrix Cioslowski J, Martinov M
371 - 374	On the Extent of Spin Contamination in Open-Shell Coupled-Cluster Wave-Functions Stanton JF
375 - 393	A New Formulation of the Hartree-Fock-Roothaan Method for Electronic-Structure Calculations on Crystals Hammesschiffer S, Andersen HC
394 - 399	An Approach for Improved Variational Quantum Monte-Carlo Sun ZW, Soto MM, Barnett RN, Lester WA
400 - 408	Coupled-Cluster Theory Employing Approximate Integrals - An Approach to Avoid the Input/Output and Storage Bottlenecks Rendell AP, Lee TJ
409 - 415	Accurate Electron-Affinities of Small Carbon Clusters Watts JD, Bartlett RJ
416 - 423	Exchange Interaction Between 2 O-2 Molecules Using the Asymptotic Method Bussery B, Umanskii SY, Aubertfrecon M, Bouty O
424 - 429	Calculations of Magnetic-Properties .5. Electron-Correlated Hypermagnetizabilities (Cotton-Mouton Effect) for H-2, N-2, HF, and Co Cybulski SM, Bishop DM
430 - 435	Equilibrium Geometry of Isocyanomethylene (Hcnc) and Comparison to the Troublesome Isomer Cyanomethylene (Hccn) Kellogg CB, Galbraith JM, Fowler JE, Schaefer HF
436 - 448	A Nonequilibrium Golden-Rule Formula for Electronic-State Populations in Nonadiabatically Coupled Systems Coalson RD, Evans DG, Nitzan A
449 - 458	Translational and Rotational Expansion of Spherical Gaussian Wave-Functions for Multicenter Molecular Integrals Chiu LY, Moharerrzadeh M
459 - 467	Initial Investigation of the Homogeneous Nucleation of Cesium Vapor Cha GS, Uchtmann H, Fisk JA, Katz JL
468 - 472	Pressure-Induced Concentration Fluctuations in N-Isopropylacrylamide Gels Kato E
473 - 475	Ab-Initio Molecular-Dynamics Study on the Thermal-Stability of Na-8 Microcluster Tse JS, Klug DD
476 - 479	Diffusivity in 2-Butoxyethanol/Water Mixtures of Noncritical Composition Approaching the Liquid/Liquid Coexistence Curve Schmitz J, Belkoura L, Woermann D
480 - 489	Molecular-Dynamics of Heat-Flow in Nematic Liquid-Crystals Sarman S
490 - 509	Coexisting Phases and Criticality in NaCl by Computer-Simulation Guissani Y, Guillot B
510 - 518	Packing Rods on D-Dimensional Lattices - From Direct Enumeration to Series Expansions Nemirovsky AM, Huston SE, Graham RL, Freed KF
519 - 532	Lattice Cluster Theory for Phase-Behavior of Rectangular Mesogens Li WS, Freed KF
533 - 541	Simulated Annealing Using the Classical Density Distribution Ma JP, Straub JE
542 - 553	Linear Viscoelasticity in Dispersions of Adhesive Hard-Spheres Woutersen AT, Mellema J, Blom C, Dekruif CG
554 - 577	Molecular-Solvent Model for a Cryptate Solution in Acetonitrile - A Hypernetted-Chain Study Fries PH, Kunz W, Calmettes P, Turq P
578 - 584	Small-Angle Neutron-Scattering - A Critical-Study of the Contrast Approximation Fries PH, Kunz W, Calmettes P, Turq P
585 - 593	Time-of-Flight Neutron-Diffraction Study on the Low-Temperature Phases of If7 Marx R, Mahjoub AR, Seppelt K, Ibberson RM
594 - 602	Singularities in the Consistent Hypernetted-Chain Approximation Ferreira PG, Carvalho RL, Dagama MM, Schlijper AG
603 - 626	Dressed-Ion Theory for Electrolyte-Solutions - A Debye-Huckel-Like Reformulation of the Exact Theory for the Primitive Model Kjellander R, Mitchell DJ
627 - 633	Walking on the Free-Energy Hypersurface of the 18-Crown-6 Ion System Using Free-Energy Derivatives Cieplak P, Pearlman DA, Kollman PA
634 - 644	Dynamics of Sodium-Doped Polyacetylene Dianoux AJ, Kneller GR, Sauvajol JL, Smith JC
645 - 650	Monte-Carlo Simulation of a Lattice Model for Micelle Formation Bernardes AT, Henriques VB, Bisch PM
651 - 661	Path Integration of a General 2 Time Action Involving Local and Nonlocal Harmonic-Oscillator Potentials Chanana N, Menon VJ, Singh Y
662 - 671	High-Pressure Neutron-Diffraction on Liquid Sulfur-Hexafluoride and Interpretation by Statistical-Mechanical Theories and Computer-Simulations Strauss G, Zweier H, Bertagnolli H, Bausenwein T, Todheide K, Chieux P
672 - 682	Structure and Intermolecular Interactions in Fluid Ammonia - An Investigation by Neutron-Diffraction at High-Pressure, Statistical-Mechanical Calculations and Computer-Simulations Bausenwein T, Bertagnolli H, David A, Goller K, Zweier H, Todheide K, Chieux P
683 - 692	Computer-Simulation Studies on Beta-Quinol Clathrates with Various Gases - Interdependence of Host and Guest Molecules Vonszentpaly L, Shamovsky IL, Ghosh R, Zubkus VE, Tornau EE
693 - 702	A Cage Model of Liquids Supported by Molecular-Dynamics Simulations .1. The Cage Variables Moro GJ, Nordio PL, Noro M, Polimeno A
703 - 712	A Cage Model of Liquids Supported by Molecular-Dynamics Simulations .2. The Stochastic-Model Polimeno A, Moro GJ
713 - 725	Initial Sticking Coefficient of O2 on Ag(110) Vattuone L, Rocca M, Boragno C, Valbusa U
726 - 730	Coverage Dependence of Sticking Coefficient of O-2 on Ag(110) Vattuone L, Rocca M, Boragno C, Valbusa U
731 - 733	Modeling Large Gaussian Ring Polymers Koniaris K
734 - 748	A Structure Adapted Multipole Method for Electrostatic Interactions in Protein Dynamics Niedermeier C, Tavan P
749 - 763	Orientation Dependence of H-2 Nuclear-Magnetic-Resonance Spin-Lattice Relaxation in Phospholipid and Phospholipid-Cholesterol Systems Morrison C, Bloom M
764 - 771	Kinetics of Step-Site Filling for Co/Ni(9,1,1) - A Pulsed Molecular Beam-Surface Infrared Study Sinniah K, Reuttrobey JE, Brown AR, Doren DJ
772 - 780	Anomalous Surface-Diffusion - A Numerical Study Bychuk OV, Oshaughnessy B
781 - 787	High-Resolution Electron-Energy-Loss Spectroscopy Investigation of Molecular-Conformation at the Surface of Poly(Amino Acid)S Films Leclerc G, Pireaux JJ, Caudano R, Honings C, Hocker H
788 - 797	Conformational Dynamics in Bulk Polyethylene - A Molecular-Dynamics Simulation Study Boyd RH, Gee RH, Han J, Jin Y
798 - 804	Dynamic Viscoelasticity and Critical Exponents in Sol-Gel Transition of an End-Linking Polymer Takahashi M, Yokoyama K, Masuda T, Takigawa T
805 - 813	Calculations on Rotationally and Diffractionally Inelastic Molecule-Surface Scattering for Arbitrary Angles of Incidence - A New-Wave Packet Technique Kroes GJ, Mowrey RC
814 - 821	Modeling and Analysis of Moving Temperature Patterns on Catalytic Surfaces Colin P, Balakotaiah V
822 - 832	Nuclear-Spin-Lattice Relaxation Dispersion and Segment Diffusion in Entangled Polymers - Renormalized Rouse Formalism Fatkullin N, Kimmich R
833 - 835	Resonance-Enhanced Multiphoton Ionization of the P-2 Radical Howe JD, Ashfold MN, Hudgens JW
836 - 839	Tunable Vacuum-Ultraviolet Photofragment Excitation Spectroscopy of OCS Pibel CD, Ohde K, Yamanouchi K
840 - 843	A Metal-Insulator-Transition in a Supported Monolayer of a Group-10 Metal Burdett JK, Sevov SC
844 - 847	Experimental Absolute Differential Cross-Section for the Excitation of the Lowest Triplet-State of (1.1.1)Propellane by Electron-Impact Allan M
848 - 849	Fourier Path-Integral Monte-Carlo Method for the Calculation of the Microcanonical Density-of-States Freeman DL, Doll JD
850 - 851	Measurement of Vibrational-Energy Redistribution Rates in Molecular Clusters by Time-Resolved Stimulated-Emission Pumping Hineman MF, Bernstein ER, Kelley DF
852 - 852	On the Ratio T-2/T-1 for Nonohmic Spectral Densities Laird BB, Chang TM, Skinner JL
853 - 854	The Equilibrium Geometry and Some Spectroscopic Constants of C-5 from Large-Scale Ab-Initio Calculations Botschwina P
855 - 856	Comment on a Theoretical Stochastic-Model for the A+1/2B(2)-)O Reaction Sholl DS, Skodje RT