화학공학소재연구정보센터

Journal of Chemical Physics

Journal of Chemical Physics, Vol.106, No.21 Entire volume, number list
ISSN: 0021-9606 (Print) 

In this Issue (38 articles)

8639 - 8649 Isotropic and Anisotropic Intermolecular Dynamics of Liquids Studied by Femtosecond Position-Sensitive Kerr Lens Spectroscopy
Chang YJ, Cong PJ, Simon JD
8650 - 8659 A Slow-Turning Method for Measuring Large Anisotropic Interactions in Inhomogeneously Broadened Nuclear-Magnetic-Resonance Spectra
Hill EA, Yesinowski JP
8660 - 8663 Small-Angle Scattering of a Polydisperse System of Interacting Hard-Spheres - An Analytical Solution
Riello P, Benedetti A
8664 - 8671 Energy-Transfer Processes in Organized Media .2. Generalization of the Crystal Model for Dipole-Dipole Interactions in Cubic Sites
Vasquez SO
8672 - 8680 The N2H+-He Intermolecular Potential-Energy Surface - A Vibrational Adiabatic Correction
Meuwly M, Bemish RJ
8681 - 8690 Optimization of Electrostatic Binding Free-Energy
Lee LP, Tidor B
8691 - 8698 The Temperature and Pressure-Dependence of the Reaction Ch+h-2-Double-Left-Right-Arrow-CH3-Double-Left-Right-Arrow-Ch2+h
Fulle D, Hippler H
8699 - 8709 Validation of Trajectory Surface Hopping Methods Against Accurate Quantum-Mechanical Dynamics and Semiclassical Analysis of Electronic-to-Vibrational Energy-Transfer
Topaler MS, Hack MD, Allison TC, Liu YP, Mielke SL, Schwenke DW, Truhlar DG
8710 - 8717 Structure and Stability of the Nitric-Acid Ammonia Complex in the Gas-Phase and in Water
Nguyen MT, Jamka AJ, Cazar RA, Tao FM
8718 - 8726 Benchmark Calculations with Correlated Molecular Wave-Functions .10. Comparison with Exact Mp2 Calculations on Ne, HF, H2O, and N-2
Wilson AK, Dunning TH
8727 - 8732 Diels-Alder Reactions - An Assessment of Quantum-Chemical Procedures
Barone V, Arnaud R
8733 - 8745 Calculation and Fitting of Potential-Energy and Dipole-Moment Surfaces for the Water Molecule - Fully Ab-Initio Determination of Vibrational Transition Energies and Band Intensities
Kedziora GS, Shavitt I
8746 - 8752 The Unrestricted Hartree-Fock Self-Consistent-Field Calculation for Spin-Density-Wave State in Metallic Carbon Nanotube
Kobayashi K
8753 - 8759 The 3D Rydberg ((3)A(2)) Electronic-State Observed by Herzberg and Shoosmith for Methylene
Yamaguchi Y, Schaefer HF
8760 - 8768 A New N-Body Potential and Basis-Set for Adiabatic and Nonadiabatic Variational Energy Calculations
Kinghorn DB, Adamowicz L
8769 - 8777 An Accurate Single-Center 3-Dimensional Numerical-Integration and Its Application to Atomic-Structure Calculations
Yamamoto K, Ishikawa H, Fujima K, Iwasawa M
8778 - 8787 Density-Functional Study of Mononitrosyls of First-Row Transition-Metal Atoms
Blanchet C, Duarte HA, Salahub DR
8788 - 8791 Ab-Initio Calculations of the Polarizability and the Hyperpolarizability of C-60
Norman P, Luo Y, Jonsson D, Agren H
8792 - 8798 Vapor-Pressure of Partially Deuterated Methanes (Ch3D, Ch2D2, and Chd3)
Calado JC, Lopes JN, Daponte MN, Rebelo LP
8799 - 8805 Thermodynamics of Binary-Liquid Mixtures of Partially Deuterated Methanes with CH4 or CD4
Lopes JN, Calado JC, Rebelo LP, Daponte MN, Staveley LA
8806 - 8813 Monte-Carlo Simulations of the Gamma-Beta, Alpha-Gamma, and Alpha-Beta Phase-Transitions of Nitrogen
Mulder A, Michels JP, Schouten JA
8814 - 8820 Universal Scaling for Diffusion-Controlled Reactions Among Traps
Torquato S, Yeong CL
8821 - 8829 Modeling of Voltage-Application to Metallic Electrodes Using Density-Functional Theory
Bureau C, Lecayon G
8830 - 8840 Glass-Transition and Atomic Structures in Supercooled Ga0.15Zn0.15Mg0.7 Metallic Liquids - A Constant-Pressure Molecular-Dynamics Study
Jin ZH, Lu K, Gong YD, Hu ZQ
8841 - 8848 Ion-Ion and Ion-Water Interactions in an Aqueous-Solution of Erbium Bromide (Erbr3) - A Differential Anomalous X-Ray-Scattering Study
Beudert R, Bertagnolli H, Zeller M
8849 - 8854 Long-Range Moves for High-Density Polymer Simulations
Deutsch JM
8855 - 8861 Surface-Reactions Driven by Cluster-Impact - Oxidation of Si(111) by (O-2)(N)(+) (N-Similar-to-1600)
Klopcic SA, Jarrold MF
8862 - 8875 Quantum Dissipative Dynamics of Adsorbates Near Metal-Surfaces - A Surrogate Hamiltonian Theory Applied to Hydrogen on Nickel
Baer R, Kosloff R
8876 - 8889 Molecular-Beam Studies of Sticking of Oxygen on the Rh(111) Surface
Brault P, Range H, Toennies JP
8890 - 8895 Monte-Carlo Study of Subsurface Effect on Catalytic Surface-Reactions
Khan KM, Yaldram K, Khalifeh J, Khan MA
8896 - 8904 Dynamics of Hydrogen Dissociation on Pt(100) - Steering, Screening and Thermal Roughening Effects
Pasteur AT, Dixonwarren SJ, Ge Q, King DA
8905 - 8912 Monte-Carlo Simulation Study of the Effects of Nonequilibrium Chemical-Reactions During Pulsed-Laser Desorption
Itina TE, Tokarev VN, Marine W, Autric M
8913 - 8917 Dynamics of Regular Star Polymers - Viscoelasticity and Oscillatory Flow Birefringence
Ganazzoli F
8918 - 8930 Orthorhombic Phase of Crystalline Polyethylene - A Monte-Carlo Study
Martonak R, Paul W, Binder K
8931 - 8934 A High-Resolution Pulsed-Field Ionization Photoelectron Study of O-2 Using 3rd-Generation Undulator Synchrotron-Radiation
Hsu CW, Heimann P, Evans M, Stimson S, Fenn PT, Ng CY
8935 - 8937 Angular-Distribution of HD Produced in the Abstraction Reaction by Incident D Atoms on the Monohydrided Si(100)
Takamine Y, Namiki A
8938 - 8939 Wave-Packet Investigation of the Renner-Teller-Induced Predissociation of Dco((A)over-Tilde(2)A")
Loettgers A, Schinke R
8940 - 8941 Concerning the Applicability of Density-Functional Methods to Atomic and Molecular Negative-Ions - Comment
Rosch N, Trickey SB