화학공학소재연구정보센터

Journal of Chemical Physics

Journal of Chemical Physics, Vol.105, No.5 Entire volume, number list
ISSN: 0021-9606 (Print) 

In this Issue (43 articles)

1743 - 1753 Solvation and Melting in Large Benzene-Center-Dot(Ar)(N) Clusters - Electronic Spectral Shifts and Linewidths
Adams JE, Stratt RM
1754 - 1763 Identification of 2 (3)Sigma(U)(-)(-X(3)Sigma(G)(-) Transitions of O-16(2) Near 88930 and 90780 cm(-1)
England JP, Lewis BR, Ginter ML
1764 - 1769 Rotational Excitations of a Symmetrical-Top in Cubic Orientational Potentials .2. Chd3 Matrix-Isolated in Argon
Asmussen B, Prager M, Muller M, Balszunat D, Press W, Carlile CJ
1770 - 1777 Midinfrared Spectra of the Proton-Bound Complexes Ne-N-Hco+ (N=1,2)
Nizkorodov SA, Dopfer O, Meuwly M, Maier JP, Bieske EJ
1778 - 1785 First Assignment of the Rotational Spectrum of a Molecule Containing 2 Iodine Nuclei - Spectroscopic Constants and Structure of Ch2I2
Kisiel Z, Pszczolkowski L, Caminati W, Favero PG
1786 - 1797 Laser-Induced Fluorescence Spectroscopy of Jet-Cooled P-Aminophenol
Wategaonkar S, Doraiswamy S
1798 - 1806 Nonequilibrium Phenomena in Spectral Diffusion Physics of Organic Glasses
Fritsch K, Friedrich J, Kharlamov BM
1807 - 1814 Autodetachment from Vibrational Levels of the O(2)(-)A(2)Pi(U) Resonance Across Its Dissociation Limit by Photoexcitation from O(2)(-)X(2)Pi(G)
Bailey CG, Lavrich DJ, Serxner D, Johnson MA
1815 - 1824 On the Origin of the Dip in the KrF Laser Gain Spectrum
Shaw MJ, Divall EJ, Hirst GJ, Hooker CJ, Lister JM, Ross IN, Kvaran A, Osvay K
1825 - 1832 Tunable Vacuum-Ultraviolet Laser Spectroscopy of Xear and Xene Near 68,000 cm(-1) - Interatomic Potentials Mediated by a 6S Rydberg Electron
Pibel CD, Ohde K, Yamanouchi K
1833 - 1845 Intrinsic Non-Rrk Behavior - Classical Trajectory, Statistical-Theory, and Diffusional Theory Studies of a Unimolecular Reaction
Shalashilin DV, Thompson DL
1846 - 1856 Independent Center, Independent Electron Approximation for Dynamics of Molecules and Clusters
Mcguire JH, Straton JC, Wang J, Wang YD, Weaver OL, Corchs SE, Rivarola RD
1857 - 1861 A Study on Ion-Molecule Reactions in the H-3(+) System with the Trajectory-Surface-Hopping Model
Ichihara A, Shirai T, Yokoyama K
1862 - 1879 State-Selective Control for Vibrational-Excitation and Dissociation of Diatomic-Molecules with Shaped Ultrashort Infrared-Laser Pulses
Korolkov MV, Paramonov GK, Schmidt B
1880 - 1896 Absolute Partial and Total Cross-Section Functions for the Electron-Impact Ionization of C-60 and C-70
Matt S, Dunser B, Lezius M, Deutsch H, Becker K, Stamatovic A, Scheier P, Mark TD
1897 - 1901 On the Origin of Matrix-Elements for Electronic Excitation (Energy) Transfer
Harcourt RD, Ghiggino KP, Scholes GD, Speiser S
1902 - 1921 Simulation of Activation Free-Energies in Molecular-Systems
Neria E, Fischer S, Karplus M
1922 - 1932 Properties of Phosphorus-Compounds by Density-Functional Theory - Ch3P Species as a Test-Case
Nguyen MT, Creve S, Vanquickenborne LG
1933 - 1939 Approaches to Bifurcating Reaction-Path
Taketsugu T, Tajima N, Hirao K
1940 - 1950 The Structure and Binding-Energy of K+-Ether Complexes - A Comparison of Mp2, Ri-Mp2, and Density-Functional Methods
Feller D, Apra E, Nichols JA, Bernholdt DE
1951 - 1958 The Sioh-Hsio System - A High-Level Quantum-Mechanical Study
Yamaguchi Y, Xie YM, Kim SJ, Schaefer HF
1959 - 1967 The Imomo Method - Integration of Different Levels of Molecular-Orbital Approximations for Geometry Optimization of Large Systems - Test for N-Butane Conformation and S(N)2 Reaction - Rcl+cl-
Humbel S, Sieber S, Morokuma K
1968 - 1986 An Effective Fragment Method for Modeling Solvent Effects in Quantum-Mechanical Calculations
Day PN, Jensen JH, Gordon MS, Webb SP, Stevens WJ, Krauss M, Garmer D, Basch H, Cohen D
1987 - 1994 Relativistic and Correlation-Effects on Molecular-Properties .2. The Hydrogen Halides HF, HCl, HBr, HI, and Hat
Visscher L, Styszynski J, Nieuwpoort WC
1995 - 2003 Relativistic Effects on Electric Properties of Many-Electron Systems in Spin-Averaged Douglas-Kroll and Pauli Approximations
Kello V, Sadlej AJ, Hess BA
2004 - 2010 Calculation of Free-Energy Differences from Computer-Simulations of Initial and Final-States
Hummer G, Szabo A
2011 - 2019 Solution of the Chandler-Silbey-Ladanyi Equation for the Multicomponent Hard-Sphere Site-Site Molecular Fluid - Percus-Yevick Approximation
Kalyuzhnyi YV, Cummings PT
2020 - 2027 Theory of Gas-Gas Phase-Transition in Rare-Gas Binary-Mixtures
Strigari L, Rovere M, Daguanno B
2028 - 2033 Normalized Fluctuations, H2O vs N-Hexane - Site-Correlated Percolation
Koga Y, Westh P, Sawamura S, Taniguchi Y
2034 - 2043 Capillary Condensation in Structured Pores
Rocken P, Tarazona P
2044 - 2055 Shear Viscosity of Model Mixtures by Nonequilibrium Molecular-Dynamics .2. Effect of Dipolar Interactions
Lee SH, Cummings PT
2056 - 2065 A Debye-Huckel Theory for Electrostatic Interactions in Proteins
Ullner M, Woodward CE, Jonsson B
2066 - 2075 Hyperthermal H Atom Interactions with D/Si(100) - Effects of Incident H Atom Kinetic-Energy on the Removal of Adsorbed D
Buntin SA
2076 - 2088 The Local Energy Approximation and the Predictability of Chain Configurations in Polymer Melts
Neyertz S, Brown D, Clarke JH
2089 - 2092 Crystalline-Structures of Pristine and Hydrated Mercaptohexanol Self-Assembled Monolayers an Au(111)
Poirier GE, Pylant ED, White JM
2093 - 2098 Helium Atom Scattering from Isolated Co Molecules on Copper(001)
Graham AP, Hofmann F, Toennies JP, Manson JR
2099 - 2105 Interlayer Interactions in 2-Dimensional Systems - 2nd-Order Effects Causing Abab Stacking of Layers in Graphite
Yoshizawa K, Kato T, Yamabe T
2106 - 2111 Rotational Diffusion of Asymmetric Molecules in Liquid-Crystals - A Global Analysis of Deuteron Relaxation Data
Dong RY, Shen X
2112 - 2118 Exact Analytic Solution for the Correlation Time of a Brownian Particle in a Double-Well Potential from the Langevin Equation
Kalmykov YP, Coffey WT, Waldron JT
2119 - 2126 Grafted Macromolecules with Adsorbing Ends
Skvortsov AM, Pavlushkov IV, Gorbunov AA, Zhulina EB
2127 - 2128 Ab-Initio Study of the Chlorine Nitrate Anion
Seeley JV, Miller TM, Viggiano AA
2129 - 2129 The Universal Repulsive-Core Singularity - A Temperature-Dependent Exam Pie
Baram A
2130 - 2130 Density-Functional Theory of Crystal-Growth - Lennard-Jones Fluids (Vol 104, Pg 4233, 1996)
Shen YC, Oxtoby DW