화학공학소재연구정보센터

Journal of Chemical Physics

Journal of Chemical Physics, Vol.103, No.23 Entire volume, number list
ISSN: 0021-9606 (Print) 

In this Issue (55 articles)

9903 - 9906 Line Coupling Effects in Anisotropic Raman Q-Branches of the Nu(1)/2-Nu(2) Fermi Dyad in CO2
Lavorel B, Fanjoux G, Millot G, Bonamy L, Emond F
9907 - 9917 The Complex Mechanical Modulus as a Structural Probe - The Case of Alkali Borate Liquids and Glasses
Masnik JE, Kieffer J, Bass JD
9918 - 9928 Intermolecular Vibrations of the Phenol Dimer Revealed by Spectral Hole-Burning and Dispersed Fluorescence Spectroscopy
Schmitt M, Henrichs U, Muller H, Kleinermanns K
9929 - 9934 Magnetic-Field-Induced N-2(B-)A) Emission from a Beam of Metastable Nitrogen Molecules and Precise Term Energy of the N-2(A’(5)Sigma(+)(G)) State
Ottinger C, Vilesov AF
9935 - 9940 Solvent Effects on First-Order Molecular Hyperpolarizability - A Study Based on Vibrational Observables
Zuliani P, Delzoppo M, Castiglioni C, Zerbi G, Marder SR, Perry JW
9941 - 9946 Detection of CH in an Oxyacetylene Flame Using 2-Color Resonant 4-Wave-Mixing Technique
Hung WC, Huang ML, Lee YC, Lee YP
9947 - 9962 Theoretical-Study of the Unimolecular Dissociation HO2-)H+o-2 .1. Calculation of the Bound-States of HO2 Up to the Dissociation Threshold and Their Statistical-Analysis
Dobbyn AJ, Stumpf M, Keller HM, Schinke R
9963 - 9967 Reaction of Sicn+ (N=1-6) and Sicn- (N=2-4) with O-2 Molecules in a Radio-Frequency Ion-Trap
Negishi Y, Kimura A, Kobayashi N, Shiromaru H, Achiba Y, Watanabe N
9968 - 9980 Electron-Nuclear Dynamics of H++h2 Collisions at E(Lab)=30 eV
Morales J, Diz A, Deumens E, Ohrn Y
9981 - 9988 State-Specific Unimolecular Dissociation Dynamics of Hfco .2. Co Rotational Distribution and Doppler Widths
Choi YS, Moore CB
9989 - 10000 Charge-Transfer Dynamics in Ion-Polyatomic Molecule Collisions - X(+)+h2O (X=n,Kr) Luminescence Study
Dressler RA, Arnold ST, Murad E
10001 - 10004 On the Propensity Rules for Inelastic NH3 Rare-Gas Collisions
Vandersanden GC, Wormer PE, Vanderavoird A, Schleipen J, Termeulen JJ
10005 - 10014 Newtonian Propagation Methods Applied to the Photodissociation Dynamics of I-3(-)
Ashkenazi G, Kosloff R, Ruhman S, Talezer H
10015 - 10029 Classical Description of Nonadiabatic Photoisomerization Processes and Their Real-Time Detection via Femtosecond Spectroscopy
Stock G
10030 - 10041 Quantum Time Evolution in Time-Dependent Fields and Time-Independent Reactive-Scattering Calculations via an Efficient Fourier Grid Preconditioner
Peskin U, Miller WH, Edlund A
10042 - 10049 Dynamic Reaction-Path Analysis Based on an Intrinsic Reaction Coordinate
Taketsugu T, Gordon MS
10050 - 10057 Monomer-Excimer Kinetics in Solution .3. Generalized Smoluchowski Approach
Molski A, Naumann W
10058 - 10069 Spin-Density in First-Row Diatomic Hydrides from the Hiller-Sucher-Feinberg Identity
Rassolov VA, Chipman DM
10070 - 10073 Caoh Has a 2nd Linear Structure Hcao
Kong J, Boyd RJ
10074 - 10084 Bound-States and Resonances of the Hydroperoxyl Radical HO2 - An Accurate Quantum-Mechanical Calculation Using Filter Diagonalization
Mandelshtam VA, Grozdanov TP, Taylor HS
10085 - 10094 Correlation-Energy Density from Ab-Initio First-Order and 2nd-Order Density-Matrices - A Benchmark for Approximate Functionals
Sule P, Gritsenko OV, Nagy A, Baerends EJ
10095 - 10109 The Density-Functional Calculation of Nuclear Shielding Constants Using London Atomic Orbitals
Lee AM, Handy NC, Colwell SM
10110 - 10115 Ab-Initio Calculations of Anharmonic Vibrational Transition Intensities of Trans-2,3-Dideuteriooxirane
Bludsky O, Bak KL, Jorgensen P, Spirko V
10116 - 10127 Partitioning of Interaction Energy in Van-der-Waals Complexes Involving Excited-State Species - The He(S-1)+cl-2(B-3-Pi(U)) Interaction
Cybulski SM, Burcl R, Chalasinski G, Szczesniak MM
10128 - 10136 A Density-Functional Study of M-C2H4 Complexes (M=li, Na, K) - Singularity of the Li Atom
Alikhani ME, Hannachi Y, Manceron L, Bouteiller Y
10137 - 10145 Molecular-Dynamics with Electronic Frictions
Headgordon M, Tully JC
10146 - 10151 Void Structure and Vapor-Liquid Condensation in Dilute Deionized Colloidal Dispersions
Yoshida H, Ise N, Hashimoto T
10152 - 10161 The Refractive-Index of Colorless Liquids in the Visible and Infrared - Contributions from the Absorption of Infrared and Ultraviolet-Radiation and the Electronic Molar Polarizability Below 20500 cm(-1)
Bertie JE, Lan Z
10162 - 10168 Thermochemistry of Disulfur Decafluoride, S2F10
Irikura KK
10169 - 10175 Calculation of the 3rd Virial-Coefficient for Water
Kusalik PG, Liden F, Svishchev IM
10176 - 10182 Reaction-Coordinate-Dependent Friction in Classical Activated Barrier Crossing Dynamics - When It Matters and When It Doesnt
Haynes GR, Voth GA
10183 - 10191 New Strategies to Incorporate the Solvent Polarization in Self-Consistent Reaction Field and Free-Energy Perturbation Simulations
Luque FJ, Bofill JM, Orozco M
10192 - 10200 Decane Under Shear - A Molecular-Dynamics Study Using Reversible Nvt-Sllod and NPT-Sllod Algorithms
Mundy CJ, Siepmann JI, Klein ML
10201 - 10213 Statistical-Theory of Time-Dependent Diffusion-Controlled Reactions in Fluids and Solids
Felderhof BU, Jones RB
10214 - 10216 Area Dependence of the Surface-Tension of a Lennard-Jones Fluid from Molecular-Dynamics Simulations
Chen LJ
10217 - 10225 Nonequilibrium Molecular-Dynamics Study of Shear and Shear-Free Flows in Simple Fluids
Baranyai A, Cummings PT
10226 - 10237 The Stress Tensor in Colloidal Suspensions
Strating P
10238 - 10251 Collision-Induced Desorption of Ammonia Chemisorbed on Pt(111) - From Direct Measurement of the Threshold Energy to Determination of the Surface-Adsorbate Bond Strength
Szulczewski G, Levis RJ
10252 - 10266 Computer-Simulation of Liquid/Liquid Interfaces .1. Theory and Application to Octane/Water
Zhang YH, Feller SE, Brooks BR, Pastor RW
10267 - 10276 Computer-Simulation of Liquid/Liquid Interfaces .2. Surface-Tension Area Dependence of a Bilayer and Monolayer
Feller SE, Zhang YH, Pastor RW
10277 - 10285 Hybrid Treatment of Spatiotemporal Behavior in Surface-Reactions with Coexisting Immobile and Highly Mobile Reactants
Tammaro M, Sabella M, Evans JW
10286 - 10297 Computer Design of Idealized Beta-Motifs
Kolinski A, Galazka W, Skolnick J
10298 - 10305 Studies of an Off-Lattice Model for Protein-Folding - Sequence Dependence and Improved Sampling at Finite-Temperature
Irback A, Potthast F
10306 - 10314 Pattern-Formation Arising from Wave Instability in a Simple Reaction-Diffusion System
Zhabotinsky AM, Dolnik M, Epstein R
10315 - 10324 Mixing Properties of Model Polymer/Solvent Systems
Sheng YJ, Panagiotopoulos AZ, Kumar SK
10325 - 10331 A High-Field Magnetic Birefringence Study of Dilute Phases of a Nonionic Surfactant in Water
Sprunt S, Zhang CY, Litster JD
10332 - 10346 The Effects of Local Stiffness Disparity on the Surface Segregation from Binary Polymer Blends
Kumar SK, Yethiraj A, Schweizer KS, Leermakers FA
10347 - 10355 A Model of Crystal Polarization in Beta-Poly(Vinylidene Fluoride)
Carbeck JD, Lacks DJ, Rutledge GC
10356 - 10365 The Soft-X-Ray Photochemistry of Physisorbed Sif4 .1. Reactions of the Molecular-Species Through Desorption and Dissociation
Frigo SP, Simons JK, Rosenberg RA
10366 - 10377 The Soft-X-Ray Photochemistry of Physisorbed Sif4 .2. Mechanisms and Kinetics
Frigo SP, Simons JK, Rosenberg RA
10378 - 10386 Nonequilibrium Molecular-Dynamics of Liquid-Crystal Shear-Flow
Sarman S
10387 - 10392 Computer-Simulation of Regular Liesegang Structures
Buki A, Karpatismidroczki E, Zrinyi M
10393 - 10394 Resonance-Enhanced Multiphoton Electron Detachment Spectrum of C-5(-)
Ohara M, Shiromaru H, Achiba Y, Hashimoto K, Ikuta S, Aoki K
10395 - 10398 Crossed-Beam Reaction of C(P-3(J)) with C2H2((1)Sigma(+)(G)) - Observation of Tricarbon-Hydride C3H
Kaiser RI, Lee YT, Suits AG
10399 - 10400 Thermal-Desorption of Hydrogen from Atomic Nitrogen Precovered Ru(001)
Seets DC, Wheeler MC, Mullins CB