화학공학소재연구정보센터

Journal of Chemical Physics

Journal of Chemical Physics, Vol.100, No.3 Entire volume, number list
ISSN: 0021-9606 (Print) 

In this Issue (66 articles)

1785 - 1796 Calculation of Electron-Spin-Resonance Linewidths for Hydrogen-Atom Impurities in Solid Para-Hydrogen
Li DH, Voth GA
1797 - 1804 Threshold Photodetachment Zero-Electron Kinetic-Energy Spectroscopy of Si-3(-)
Arnold CC, Neumark DM
1805 - 1814 Intramolecular Collisional Transfer in No (A (4)Pi-)B (2)Pi, B (4)Sigma(-)) - Gateway-Type, Resonant Versus Direct, Nonresonant Mechanisms
Ottinger C, Vilesov AF
1815 - 1822 Lifetime Measurements on Perturbed Levels of No(B (2)Pi) and Precise Term Energy of the No(A (4)Pi) State
Ottinger C, Vilesov AF
1823 - 1839 Femtosecond Polarization Spectroscopy - A Density-Matrix Description
Ziegler LD, Fan R, Desrosiers AE, Scherer NF
1840 - 1848 Bound Excited Electronic States of Anions
Brinkman EA, Gunther E, Schafer O, Brauman JI
1849 - 1857 Resonance-Enhanced 2-Photon Ionization Spectroscopy of rbcS in a Very Cold Molecular-Beam
Kim BS, Yoshihara K
1858 - 1865 3-Photon Resonance-Enhanced Ionization Spectroscopy of Co(A (1)Pi-X (1)Sigma(+)) .1. Influence of Phase-Matching on the Appearance and Adverse Pressure Effect of the Spectra
Xu S, Sha GH, He JB, Zhang CH
1866 - 1873 3-Photon Resonance-Enhanced Ionization Spectroscopy of Co(A (1)Pi(-X (1)Sigma(+)) .2. Line Shift/Profile and the AC Stark-Effect
Xu S, Sha GH, He JB, Zhang CH
1874 - 1883 The Fluorescence Excitation Spectrum of 1-Naphthoic Acid at Rotational Resolution - S-0 and S-1 Potential-Energy Surfaces Along the R-COOH Torsional Coordinate
Jagannathan S, Pratt DW
1884 - 1888 Photoelectron-Spectroscopy of Lithium Hydride Anion
Sarkas HW, Hendricks JH, Arnold ST, Bowen KH
1889 - 1894 Hydrogen-Bond Dynamics in Benzoic-Acid Dimers as a Function of Hydrostatic-Pressure Measured by Nuclear-Magnetic-Resonance
Horsewill AJ, Mcdonald PJ, Vijayaraghavan D
1895 - 1901 The Nuclear Hexadecapole Interaction of I-127 in Cadmium Iodide Measured Using Zero-Field 2-Dimensional Nuclear-Magnetic-Resonance
Liao MY, Harbison GS
1902 - 1907 A Discharge Flow-Photoionization Mass-Spectrometric Study of Hobr(X (1)A’) - Photoion Yield Spectrum, Ionization-Energy, and Thermochemistry
Monks PS, Stief LJ, Krauss M, Kuo SC, Klemm RB
1908 - 1920 Method for Quasi-Classical Trajectory Calculations on Potential-Energy Surfaces Defined from Gradients and Hessians, and Model to Constrain the Energy in Vibrational-Modes
Varandas AJ, Marques JM
1921 - 1935 Exploring Complexity in Some Simple Nonlinear Chemical Kinetic Schemes
Chaudry AN, Coveney PV, Billingham J
1936 - 1945 The Effect of Reagent Translation on the Reaction Dynamics and the Absolute Reaction Cross-Section of H+h2O-)Oh+h-2
Jacobs A, Volpp HR, Wolfrum J
1946 - 1952 The Kinetic and Internal Energy of No from the Photodissociation of Nitrobenzene
Galloway DB, Glenewinkelmeyer T, Bartz JA, Huey LG, Crim FF
1953 - 1967 Quantum Scattering Studies of Electronically Inelastic-Collisions of N-2(+)(X (2)Sigma(G)(+), a (2)Pi(U) with He
Berning A, Werner HJ
1968 - 1980 Distance Dependence of Electronic-Energy Transfer Between Donor and Acceptor Adlayers - P-Terphenyl and 9,10-Diphenylanthracene
Haynes DR, Tokmakoff A, George SM
1981 - 1987 Pathways for H-2 Elimination from Ethylene - A Theoretical-Study
Jensen JH, Morokuma K, Gordon MS
1988 - 1994 The Analysis of the Chemisorption Bond from Uncorrelated and Correlated Cluster Model Wave-Functions
Ricart JM, Clotet A, Illas F, Rubio J
1995 - 2009 Symmetry-Adapted Perturbation-Theory of the Intermonomer Correlation-Effects in Intermolecular Forces
Tachikawa M, Suzuki K, Iguchi K, Miyazaki T
2010 - 2018 Bonding Between Co and the MgO(001) Surface - A Modified Picture
Nygren MA, Pettersson LG, Barandiaran Z, Seijo L
2019 - 2026 Calculations of Magnetic-Properties .4. Electron-Correlated Magnetizabilities and Rotational G-Factors for 9 Small Molecules
Cybulski SM, Bishop DM
2027 - 2033 Recovery of the Landau Matrix-Elements from the Classical Fourier Components - The One-Dimensional Dissociating Oscillator
Karni Y, Nikitin EE
2034 - 2043 Theoretical Ab-Initio Investigation of the Dipole Polarizabilities of Oligothiophenes and Polythiophene
Champagne B, Mosley DH, Andre JM
2044 - 2051 On the Orbital Picture of Shape Resonances Using Feynman-Dyson Amplitudes from Different Decouplings of the Dilated Electron Propagator
Medikeri MN, Nair J, Mishra MK
2052 - 2057 A New Model for Atom-Atom Potentials
Cvetko D, Lausi A, Morgante A, Tommasini F, Cortona P, Dondi MG
2058 - 2088 The Proton-Transfer Surface of Ch3Ohf-
Wladkowski BD, East AL, Mihalick JE, Allen WD, Brauman JI
2089 - 2103 Quantum Simulations of Nonlinear Resonance and Torsional Dynamics
Collins MA, Schranz HW
2104 - 2117 A Variational Method for the Calculation of Rovibrational Energy-Levels of Triatomic-Molecules Using a Hamiltonian in Hyperspherical Coordinates - Applications to H-3(+) and Na-3(+)
Carter S, Meyer W
2118 - 2127 An Exact Separation of the Spin-Free and Spin-Dependent Terms of the Dirac-Coulomb-Breit Hamiltonian
Dyall KG
2128 - 2138 Mechanical and Molecular-Properties of Ice-VIII from Crystal-Orbital Ab-Initio Calculations
Ojamae L, Hermansson K, Dovesi R, Roetti C, Saunders VR
2139 - 2148 Crystal Nucleation and Growth from the Undercooled Liquid - A Nonclassical Piecewise Parabolic Free-Energy Model
Bagdassarian CK, Oxtoby DW
2149 - 2153 Elastic-Moduli of Simple Fluids with Steeply Repulsive Potentials
Heyes DM, Aston PJ
2154 - 2160 Detailed Balance Method for Chemical-Potential Determination in Monte-Carlo and Molecular-Dynamics Simulations
Fay PJ, Ray JR, Wolf RJ
2161 - 2169 A Monte-Carlo Study of the Liquid-Vapor Coexistence of Charged Hard-Spheres
Caillol JM
2170 - 2181 A Comparison Between the Ion-Time Self-Diffusion and Low Shear Viscosity of Concentrated Dispersions of Charged Colloidal Silica Spheres
Imhof A, Vanblaaderen A, Maret G, Mellema J, Dhont JK
2182 - 2190 Virial-Coefficients and Equation of State of Hard Alkane Models
Vega C, Lago S, Garzon B
2191 - 2201 Molecular Theory of Phase-Equilibria in Model Associated Mixtures .1. Binary-Mixtures of Water and a Simple Fluid
Nezbeda I, Smith WR, Kolafa J
2202 - 2212 A Voronoi Polyhedra Analysis of Structures of Liquid Water
Shih JP, Sheu SY, Mou CY
2213 - 2219 Ground-State Configurations of Model Molecular Clusters
Clarke AS, Patey GN
2220 - 2222 Entropy of Buckminsterfullerene at 0-K
Johari GP
2223 - 2231 Conductivity in Quasi-One-Dimensional Organic Metals - A New Approach
Misurkin IA, Tchougreeff AL
2232 - 2243 A Realistic Molecular-Dynamics Simulation of the Plastic Crystalline Phase of Neopentane .2. Individual Orientational Dynamics
Breymann W, Pick RM
2244 - 2249 Integral-Equation Theory for Charged Liquids - The Structure of Macroions in Solution and the Inversion of Experimental-Data
Duh DM, Haymet AD
2250 - 2257 Isothermal Glass Transitions in Supercooled and Overcompressed Liquids
Albasimionesco C
2258 - 2266 Generation and Detection of Coherent Magnetron Motion in Fourier-Transform Ion-Cyclotron Resonance Mass-Spectrometry
Chen RD, Guan SH, Marshall AG
2267 - 2276 Computer-Simulation of the Folding of Coiled Coils
Rey A, Skolnick J
2277 - 2288 First-Principles-Derived Dynamics of F2 Reactive Scattering on Si(100)-2X1
Carter LE, Khodabandeh S, Weakliem PC, Carter EA
2289 - 2297 Electric Birefringence of Flexible Polymers in High Fields - Brownian Dynamics Simulation
Goff RB, Karel SF, Prudhomme RK
2298 - 2309 Response and Instabilities of the Lamellar Phase of Diblock Copolymers Under Uniaxial-Stress
Wang ZG
2310 - 2321 Structural Features of the No/Ru(001) Adsorption Complexes - A Linear Combination of Gaussian-Type Orbitals Local-Density Functional-Model Cluster-Analysis of High-Resolution Electron-Energy-Loss Spectroscopy Data
Neyman KM, Rosch N, Kostov KL, Jakob P, Menzel D
2322 - 2324 Evidence for a Size-Dependent Melting of Sodium Clusters
Martin TP, Naher U, Schaber H, Zimmermann U
2325 - 2334 Adsorption-Stretching Analogy for a Polymer-Chain on a Plane - Symmetry Property of the Phase-Diagram
Skvortsov AM, Gorbunov AA, Klushin LI
2335 - 2345 On the Munn-Silbey Approach to Nonlocal Exciton-Phonon Coupling
Zhao Y, Brown DW, Lindenberg K
2346 - 2358 A Novel Molecular-Orbital Method for the Calculations of Polymer Systems with Local Aperiodic Part - The Combination of the Elongation Method with the Supercell Method
Mitani M, Aoki Y, Imamura A
2359 - 2365 Surface Scattering of No from Ag(111) - A Statistical Description of Rotational Energy-Distributions
Pettersson JB
2366 - 2384 Anharmonic-Oscillator Modeling of Nonlinear Susceptibilities and Its Application to Conjugated Polymers
Takahashi A, Mukamel S
2385 - 2387 Direct, Spectroscopic Measurement of the Rotational State Distribution of HCl Fragments from the Vibrational Predissociation of Nu(2)=1 (HCl)(2) Produced by Stimulated Raman Excitation
Serafin J, Ni H, Valentini JJ
2388 - 2390 The Copper Trimer and Its Argon Van-der-Waals Complex - An Anomalous Shift in the (A)over-Tilde(-(X)over-Tilde Photodissociation Spectrum
Knickelbein MB
2391 - 2393 Compressibility Equation for Fluids in Random Microporous Matrices
Ford DM, Glandt ED
2394 - 2397 Solving Schrodingers Equation Around a Desired Energy - Application to Silicon Quantum Dots
Wang LW, Zunger A
2398 - 2401 Collision-Induced State-to-State Energy-Transfer in the Nu(2)+3-Nu(3) Rovibrational Manifold of Gas-Phase Acetylene
Milce AP, Barth HD, Orr BJ
2402 - 2402 Very-Low Temperature Pressure Broadening of Dcl in a Collisionally Cooled Cell (Vol 96, Pg 898, 1992)
Willey DR, Choong VE, Delucia FC