화학공학소재연구정보센터

Journal of Chemical Physics

Journal of Chemical Physics, Vol.104, No.21 Entire volume, number list
ISSN: 0021-9606 (Print) 

In this Issue (67 articles)

8183 - 8196 The Optical and Optical/Stark Spectrum of Iridium Monocarbide and Mononitride
Marr AJ, Flores ME, Steimle TC
8197 - 8209 Isotopic-Substitution of a Hydrogen-Bond - A Near-Infrared Study of Intramolecular Vibrations in (DF)(2)
Davis S, Anderson DT, Farrell JT, Nesbitt DJ
8210 - 8215 Zeeman Studies of the First Excited-States of Palladium and Metal-Free Phthalocyanines in Shpolskii Matrix
Huang SC, Chen WH
8216 - 8229 Theory of Thermal Effects in Nuclear-Magnetic-Resonance Spectra of Metal-Hydrides Undergoing Quantum-Mechanical Exchange
Szymanski S
8230 - 8236 Dicarbocyanine Dyes in Methanol Solution Probed by Depolarized Rayleigh and Hyper-Rayleigh Light-Scattering
Song OK, Wang CH
8237 - 8244 Theory of Raman-Scattering with Pulses - Application to Continuum Raman-Spectroscopy
Lu J, Lee SY
8245 - 8257 New Rydberg-Rydberg Transitions of the Arh and Ard Molecules .1. Emission from Np States of Ard
Dabrowski I, Tokaryk DW, Vervloet M, Watson JK
8258 - 8268 Isotropic 2nd-Order Dipolar Shifts in the Rotating-Frame
Ernst M, Kolbert AC, Schmidtrohr K, Pines A
8269 - 8278 Evolution of Excitonic Energy-Levels in Ar-N Clusters - Confinement of Bulk, Surface, and Deep Valence Shell Excitons
Wormer J, Karnbach R, Joppien M, Moller T
8279 - 8291 Radiative and Nonradiative Decay of Electronically Excited Nco
Wright SA, Dagdigian PJ
8292 - 8300 Infrared-Laser Jet Spectroscopy of Transition-Metal Hexacarbonyl-Rare Gas Dimers
Hansford GM, Davies PB
8301 - 8311 Orientation and Energy-Dependence of No Scattering from Pt(111)
Lahaye RJ, Stolte S, Holloway S, Kleyn AW
8312 - 8320 2-Color Multiphoton Transitions in Molecular-Beam Electric Resonance Studies - Rotating-Wave Versus Floquet, and on-Resonance Versus Off-Resonance, Calculations
Kondo AE, Meath WJ
8321 - 8331 Theoretical-Study of Bath-Induced Coherence Transfer Effects on a Time-Resolved and Frequency-Resolved Resonant Light-Scattering Spectrum .2. Energy Mismatch Effects
Ohtsuki Y, Fujimura Y
8332 - 8340 Acid-Base Chemistry in the Gas-Phase - The Trans-1-Naphthol-Center-Dot-NH3 Complex in Its S-0 and S-1 Electronic States
Humphrey SJ, Pratt DW
8341 - 8347 Single and Multiple-Photon Ionization of Triethylamine
Mathis JE, Compton RN
8348 - 8356 Quasi-Classical Trajectory Calculations of Photodissociation of Ar-H2O((X)over-Tilde-(A)over-Tilde) and H2O((X)over-Tilde-(A)over-Tilde)
Christoffel KM, Bowman JM
8357 - 8381 Theoretical-Study of the Unimolecular Dissociation HO2-)H+o-2 .2. Calculation of Resonant States, Dissociation Rates, and O-2 Product State Distributions
Dobbyn AJ, Stumpf M, Keller HM, Schinke R
8382 - 8392 Novel Technique for Real-Time Monitoring of Electron-Attachment to Laser-Excited Molecules
Pinnaduwage LA, Datskos PG
8393 - 8404 The Sulfur Reaction in Small Ionized Carbonyl Sulfide Clusters
Frazao JM, Lourenco JM, Cunha MA, Laranjeira MF, Los J, Moutinho AM
8405 - 8412 Quasi-Classical Dynamics of the I-2-Ne-2 Vibrational Predissociation - A Comparison with Experiment
Garciavela A, Rubayosoneira J, Delgadobarrio G, Villarreal P
8413 - 8423 4-Center Reactions - A Quantal Model for H-4
Hernandez MI, Clary DC
8424 - 8432 Tunneling Currents in Electron-Transfer Reactions in Proteins
Stuchebrukhov AA
8433 - 8441 Calculation of Dissociative Attachment of Electrons to Diatomic-Molecules by the Schwinger-Lanczos Approach
Horacek J, Gemperle F, Meyer HD
8442 - 8448 Velocity Correlation-Functions, Fickian and Higher-Order Diffusion-Coefficients for Ions in Electrostatic Fields via Molecular-Dynamics Simulation
Koutselos AD
8449 - 8457 Dissociative Photoionization of H-2 and D-2 in the Energy Region of 25-45-eV
Ito K, Hall RI, Ukai M
8458 - 8469 Models for Statistical Decomposition of Metal-Clusters - Vibrational Frequency-Distributions
Shvartsburg AA, Ervin KM, Frederick JH
8470 - 8484 Models for Statistical Decomposition of Metal-Clusters - Decay on Multiple Electronic States
Shvartsburg AA, Frederick JH, Ervin KM
8485 - 8489 Dissociative Electron-Attachment to CCl4 - Lifetime of the CCl4-Asterisk Intermediate
Popple RA, Finch CD, Smith KA, Dunning FB
8490 - 8492 Virtual Angular-Momentum - The Dynamics of Inverting Molecules in an Electrostatic Hexapole Field
Cho VA, Pipes LC, Kim DY, Brandstater N, Lester BW, Torres EA, Baugh DA
8493 - 8499 Contracted Gaussian-Type Basis Functions Revisited
Tatewaki H, Koga T
8500 - 8506 Ab-Initio Electronic-Structure of Pth+, PTH, Pt-2 and Pt2H from a One-Electron Pseudopotential Approach
Zurita S, Rubio J, Illas F, Barthelat JC
8507 - 8515 The (A)over-Tilde-(1)A(U) State and the T-2 Potential Surface of Acetylene - Implications for Triplet Perturbations in the Fluorescence-Spectra of the (A)over-Tilde State
Sherrill CD, Vacek G, Yamaguchi Y, Schaefer HF, Stanton JF, Gauss J
8516 - 8523 The Gaoh-Hgao Potential-Energy Hypersurface and the Necessity of Correlating the 3D Electrons
Richards CA, Yamaguchi Y, Kim SJ, Schaefer HF
8524 - 8534 Density-Functional Study of Strong Hydrogen-Bonded Systems - The Hydrogen Diformiate Complex
Sule P, Nagy A
8535 - 8545 Molecular Exchange-Correlation Kohn-SHAM Potential and Energy Density from Ab-Initio First-Order and 2nd-Order Density-Matrices - Examples for Xh (X=li, B, F)
Gritsenko OV, Vanleeuwen R, Baerends EJ
8546 - 8552 Effective Hamiltonian for Near-Degenerate States in Direct Relativistic Perturbation-Theory .1. Formalism
Rutkowski A, Schwarz WH
8553 - 8565 2nd-Order Many-Body Perturbation-Theory Calculations in Extended Systems
Sun JQ, Bartlett RJ
8566 - 8585 Orthogonally Spin-Adapted Single-Reference Coupled-Cluster Formalism - Linear-Response Calculation of Higher-Order Static Properties
Kondo AE, Piecuch P, Paldus J
8586 - 8592 Hartree-Fock Static Longitudinal (Hyper)Polarizability of Polyyne
Toto JL, Toto TT, Demelo CP, Kirtman B, Robins K
8593 - 8604 Theoretical-Study of Carbon-Doped Small Silicon Clusters - Electron-Affinities of Sinc (N=2-5)
Kishi R, Gomei M, Nakajima A, Iwata S, Kaya K
8605 - 8612 The Calculation of Se-77 Chemical-Shifts Using Gauge Including Atomic Orbitals and Density-Functional Theory
Schreckenbach G, Ruizmorales Y, Ziegler T
8613 - 8626 Nonergodicity and 2 Subphases in the Coexistence Region in Isomerization Dynamics of Ar-7-Like Molecules
Seko C, Takatsuka K
8627 - 8638 Calculation of Lennard-Jones Energies of Molecular Fluids
Matyushov DV, Schmid R
8639 - 8648 Potentials of Mean Force for Biomolecular Simulations - Theory and Test on Alanine Dipeptide
Pellegrini M, Gronbechjensen N, Doniach S
8649 - 8656 Condensation of Supersaturated Vapors .10. Pressure and Nonideal Gas Effects
Fisk JA, Katz JL
8657 - 8661 Condensation of a Supersaturated Vapor .11. Stable Operation of a Thermal-Diffusion Cloud Chamber
Fisk JA, Chakarov VM, Katz JL
8662 - 8670 A Molecular Theory of Frequency and Wave-Vector-Dependent Dynamic-Response Functions of Electrolyte-Solutions
Chandra A, Jana D, Bhattacharjee S
8671 - 8677 Effect of Carrier-Gas Pressure on Nucleation
Kashchiev D
8678 - 8689 Solvation of Complex-Molecules in a Polar Liquid - An Integral-Equation Theory
Beglov D, Roux B
8690 - 8702 Computational Study of the Structures and Thermodynamic Properties of Ammonium-Chloride Clusters Using a Parallel Jump-Walking Approach
Matro A, Freeman DL, Topper RQ
8703 - 8712 Motion of Star-Branched vs Linear Polymer - A Monte-Carlo Study
Sikorski A, Romiszowski P
8713 - 8720 Equilibrium Swelling Properties of Polyampholytic Hydrogels
English AE, Mafe S, Manzanares JA, Yu XH, Grosberg AY, Tanaka T
8721 - 8729 An Investigation of the Electronic and Optical-Properties of Dehydrated Sodalite Fully Doped with Na
Blake NP, Srdanov VI, Stucky GD, Metiu H
8730 - 8741 Suppression and Enhancement of Van-der-Waals Interactions
Cho MH, Silbey RJ
8742 - 8749 Rotational Isomeric State Models for Polyoxyethylene and Polythiaethylene on a High Coordination Lattice
Doruker P, Rapold RF, Mattice WL
8750 - 8756 Deformation of Ferrogels Induced by Nonuniform Magnetic-Fields
Zrinyi M, Barsi L, Buki A
8757 - 8767 A Coherent Transition Model for Photodesorption from Metals - NH3/Cu
Liu L, Guo H, Seideman T
8768 - 8776 Evidence for Thermalization of Surface-Desorbed Molecules at Heating Rates of 10(8)-K/S
Maechling CR, Clemett SJ, Engelke F, Zare RN
8777 - 8785 Wetting and Prewetting Transition in Metallic Fluid K-KCl Solutions Studied by 2nd-Harmonic Generation
Tostmann H, Nattland D, Freyland W
8786 - 8794 Surface Phase-Behavior in Binary Polymer Mixtures .1. Miscibility, Phase Coexistence, and Interactions in Polyolefin Blends
Scheffold F, Eiser E, Budkowski A, Steiner U, Klein J, Fetters LJ
8795 - 8806 Surface Phase-Behavior in Binary Polymer Mixtures .2. Surface Enrichment from Polyolefin Blends
Scheffold F, Budkowski A, Steiner U, Eiser E, Klein J, Fetters LJ
8807 - 8815 Application of the Reference Interaction Site Model-Theory to Analysis on Surface-Induced Structure of Water
Kinoshita M, Hirata F
8816 - 8820 Surface-Properties of Diluted Aqueous-Solutions of Normal-Propyl Alcohol
Glinski J, Chavepeyer G, Platten JK
8821 - 8824 On the Importance of the Fragment Relaxation Energy Terms in the Estimation of the Basis-Set Superposition Error-Correction to the Intermolecular Interaction Energy
Xantheas SS
8825 - 8828 Kinetic Evidence for the Dependence of Surface-Reaction Rates on the Distribution of Reactants on the Surface
Xu MD, Liu JY, Zaera F
8829 - 8832 Superthermal Vibrational-State Distribution of CD3 Thermally Desorbed from GaAs(100)
Xin QS, Zhu XY