화학공학소재연구정보센터

Journal of Chemical Physics

Journal of Chemical Physics, Vol.100, No.8 Entire volume, number list
ISSN: 0021-9606 (Print) 

In this Issue (76 articles)

5403 - 5410 Ab-Initio Calculations on Ar-No+ - Structure and Vibrational Frequencies
Wright TG, Spirko V, Hobza P
5411 - 5421 High-Resolution Zero Kinetic-Energy Photoelectron-Spectra of Para-N-Propylaniline
Song XB, Davidson ER, Gwaltney SR, Reilly JP
5422 - 5431 Chain-Length Dependence of Interlayer Interaction in Crystalline N-Alkanes from Raman Longitudinal Acoustic Mode Measurements
Snyder RG, Strauss HL, Alamo R, Mandelkern L
5432 - 5440 Improved KrF(B) and KrF(X) State Potentials
Lo G, Setser DW
5441 - 5447 Bound-Bound a 2-Sigma+-X 2-Pi Transition of No-Ar Van-der-Waals Complexes
Tsuji K, Shibuya K, Obi K
5448 - 5458 2-Photon Wave-Packet Interferometry
Engel V, Metiu H
5459 - 5466 Spectra and Relaxation of Hg Atoms and Molecules in Low-Temperature Matrices .1. CH4, CD4, and Mixed CH4/Ar, CD4/Ar Matrices
Crepin C, Tramer A
5467 - 5474 Spectra and Relaxation of Hg Atoms and Molecules in Low-Temperature Matrices .2. H2O/Ar and NH3/Ar Matrices
Crepin C, Tramer A
5475 - 5480 Spectra and Relaxation of Hg Atoms and Molecules in Low-Temperature Matrices .3. Hgm and Hgmxn (X=h2O and NH3) Systems in Rare-Gas Matrices
Crepin C, Tramer A
5481 - 5490 Molecular-Beam Optical Stark Spectroscopy of Cash
Scurlock CT, Henderson T, Bosely S, Jung KY, Steimle TC
5491 - 5500 C-60 Vibrates as a Hollow Sphere
Ceulemans A, Fowler PW, Vos I
5501 - 5507 Spectral Hole-Burning in Polymorphic Systems - Single-Site Pressure Phenomena and Glassy Behavior
Schellenberg P, Friedrich J, Kikas J
5508 - 5518 Overtone and Hot-Band Assignments in the 2(Nu-3, Nu-6) Levels of Chd3
Roche C, Champion JP, Coy SL, Klaassen JJ, Steinfeld JI, Valentin A, Mizugai Y, Johns JW
5519 - 5532 State-to-State Rotational Energy-Transfer Measurements in Methane (Chd3) by Infrared Double-Resonance with a Tunable Diode-Laser
Klaassen JJ, Coy SL, Steinfeld JI, Roche C
5533 - 5545 Rotational Resonance with Multiple-Pulse Scaling in Solid-State Nuclear-Magnetic-Resonance
Spencer RG, Fishbein KW, Levitt MH, Griffin RG
5546 - 5549 Direct Determination of J Coupling Between 2 Crystallographically Equivalent Spins from 2-Dimensional J-Resolved Nuclear-Magnetic-Resonance Spectra Under Variable-Angle-Spinning Conditions
Wu G, Wasylishen RE
5550 - 5555 Photon Fragment-Ion Coincidence Investigation of the Continuous Ultraviolet Emissions Produced by Fast-Ion Impact on CF4 and Chf3
Muller U, Lange M, Haas W, Brenn R
5556 - 5566 Atomic Oxygen in Crystalline Kr and Xe .2. Adiabatic Potential-Energy Surfaces
Danilychev AV, Apkarian VA
5567 - 5579 An Improved Quasi-Static Line-Shape Theory - The Effects of Molecular-Motion on the Line Wings
Ma Q, Tipping RH
5580 - 5587 Inelastic Electron-Scattering on C-60 Clusters
Yabana K, Bertsch GF
5588 - 5596 Experimental-Study of Vibrational-Excitation of Allene by Slow-Electron Impact - Vibronic Coupling in the Short-Lived Negative-Ion States
Allan M
5597 - 5604 Decay of Nuclear Magnetization by Bounded Diffusion in a Constant Field Gradient
Deswiet TM, Sen PN
5605 - 5616 System-Bath Relaxation Theory Approach to Nonadiabatic Coupling Effects on Condensed-Phase Electronic Absorption-Spectra
Evans DG, Coalson RD
5617 - 5625 A Theoretical Description of the B3-Pi-)A3-Sigma+ Transition of No+
Hutter SJ, Hess BA, Marian CM, Samzow R
5626 - 5630 Absolute Cross-Sections for the Electron-Impact Ionization of the NF2 and NF Free-Radicals
Tarnovsky V, Levin A, Becker K
5631 - 5638 Quantum Dynamical Studies for Photodissociation of H2O2 at 248 and 266 nm
Cai ZT, Zhang DH, Zhang JZ
5639 - 5645 Rotational Temperature-Dependence of the Reactions of N+ and C+ with H2, HD, and D2
Sunderlin LS, Armentrout PB
5646 - 5655 Control of Quantum Dynamics by a Locally Optimized Laser Field - Application to Ring Puckering Isomerization
Sugawara M, Fujimura Y
5656 - 5665 Guided-Ion Beam Measurements of N++h2O Charge-Transfer and Chemical-Reaction Channels
Dressler RA, Murad E
5666 - 5683 Time-Resolved Double-Resonance Study of J-Changing and K-Changing Rotational Collisional Processes in Ch3Cl
Pape TW, Delucia FC, Skatrud DD
5684 - 5695 Properties of Size and Composition Selected Gas-Phase Alkali Fulleride Clusters
Weis P, Beck RD, Brauchle G, Kappes MM
5696 - 5705 A Comparison of an Experimental Unimolecular Lifetime Distribution with Rice-Ramsperger-Kassel-Marcus Theory
Anicich VG, Sen AD, Mcewan MJ, Smith SC
5706 - 5714 The Formation and Destruction of H3O-
Miller TM, Viggiano AA, Miller AE, Morris RA, Henchman M, Paulson JF, Vandoren JM
5715 - 5725 Nickel Group Cluster Anion Reactions with Carbon-Monoxide - Rate Coefficients and Chemisorption Efficiency
Hintz PA, Ervin KM
5726 - 5734 Mobilities of He+, Ne+, Ar+, and Kr+ in He Gas at 4.35-K
Saito N, Kojima TM, Kobayashi N, Kaneko Y
5735 - 5750 Large Fluctuations and Optimal Paths in Chemical-Kinetics
Dykman MI, Mori E, Ross J, Hunt PM
5751 - 5777 Algebraic Variational and Propagation Formalisms for Quantal Dynamics Calculations of Electronic-to-Vibrational, Rotational Energy-Transfer and Application to the Quenching of the 3P State of Sodium by Hydrogen Molecules
Tawa GJ, Mielke SL, Truhlar DG, Schwenke DW
5778 - 5784 Combining Doubly-Charged Cations and Anions to Form New Species
Gonzales N, Simons J
5785 - 5791 Binding-Energies, Molecular-Structures, and Vibrational Frequencies of Transition-Metal Carbonyls Using Density-Functional Theory with Gradient Corrections
Delley B, Wrinn M, Luthi HP
5792 - 5809 State-Selective Multireference Coupled-Cluster Theory Employing the Single-Reference Formalism - Implementation and Application to the H8 Model System
Piecuch P, Adamowicz L
5810 - 5820 Theoretical-Studies on Structure, Thermochemistry, Vibrational Spectroscopy, and Other Features of Zrx6(2-) (X=f,Cl,Br,I) - Coulombic Energy in Inorganic and Organic Hexahalogenozirconates
Rak J, Gutowski M, Dokurno P, Thanh HV, Blazejowski J
5821 - 5828 Hyperfine Splitting Constants Studied by the Symmetry-Adapted Cluster-Configuration Interaction Method
Nakatsuji H, Ehara M, Momose T
5829 - 5835 Fully Optimized Contracted Gaussian-Basis Sets of Triple Zeta Valence Quality for Atoms Li to Kr
Schafer A, Huber C, Ahlrichs R
5836 - 5848 Gradient Fields of Potential-Energy Surfaces
Ruedenberg K, Sun JQ
5849 - 5856 Hartree-Fock Operators to Improve Virtual Orbitals and Configuration-Interaction Energies
Palmieri P, Tarroni R, Rettrup S
5857 - 5869 Solving the Single-Reference Coupled-Cluster Equations Involving Highly Excited Clusters in Quasi-Degenerate Situations
Piecuch P, Adamowicz L
5870 - 5873 Quasidiabatic States for Intramolecular Charge-Transfer - Application to the Protonation of NH3
Petsalakis ID, Theodorakopoulos G, Nicolaides CA
5874 - 5881 The Effect of an External Electric-Field on Diffusion-Controlled Bulk Ion Recombination
Isoda K, Kouchi N, Hatano Y, Tachiya M
5882 - 5893 Triplet Correlation-Functions for Hard-Spheres - Computer-Simulation Results
Bildstein B, Kahl G
5894 - 5904 Numerical-Methods for Locating Stable Periodic-Orbits Embedded in a Largely Chaotic System
Marcinek R, Pollak E
5905 - 5909 Inhomogeneities and Relaxation in Supercooled Liquids
Mohanty U
5910 - 5912 Reversible 1st-Order Transition Between 2 H2O Amorphs at Similar-to-0.2 GPa and Similar-to-135-K
Mishima O
5913 - 5921 Wetting Properties of Simple Binary-Mixtures and Systems with One Self-Associating Component
Perez C, Roquero P, Talanquer V
5922 - 5935 Integral-Equation Theory of Polymers - Translational Invariance Approximation and Properties of an Isolated Linear Polymer in Solution
Gan HH, Eu BC
5936 - 5948 Effects of Molecular Fluctuations on Chemical Oscillations and Chaos
Wu XG, Kapral R
5949 - 5955 Solvent Dynamics Influence on Chemical-Reaction Dynamics
Berezhkovskii AM, Dudko SA
5956 - 5964 Dissociative Adsorption of H-2 on Cu(110) - A Mixed Quantum-Classical Study
Kumar S, Jackson B
5965 - 5976 Grand-Canonical Monte-Carlo Simulations of the Distribution and Chemical-Shifts of Xenon in the Cages of Zeolite NAA .1. Distribution and Xe-129 Chemical-Shifts
Jameson CJ, Jameson AK, Baello BI, Lim HM
5977 - 5987 Grand-Canonical Monte-Carlo Simulations of the Distribution and Chemical-Shifts of Xenon in the Cages of Zeolite NAA .2. Structure of the Adsorbed Fluid
Jameson CJ, Jameson AK, Lim HM, Baello BI
5988 - 5995 Inner-Shell Excitation and Site-Specific Fragmentation of Poly(Methylmethacrylate) Thin-Film
Tinone MC, Tanaka K, Maruyama J, Ueno N, Imamura M, Matsubayashi N
5996 - 6010 Modeling of Complex Biological-Systems .1. Molecular-Dynamics Studies of Diglyceride Monolayers
Peters GH, Toxvaerd S, Svendsen A, Olsen OH
6011 - 6018 The Preparation of Polymer Melt Samples for Computer-Simulation Studies
Brown D, Clarke JH, Okuda M, Yamazaki T
6019 - 6027 Self-Quenching of Nitrobenzoxadiazole Labeled Phospholipids in Lipid-Membranes
Brown RS, Brennan JD, Krull UJ
6028 - 6037 Critical-Dynamics and Diffusion Behavior of Polymer Blend Solutions of Polystyrene Poly(Methylmethacrylate)/D6-Benzene
Miyashita N, Nose T
6038 - 6045 When Is a Potential Accurate Enough for Structure Prediction - Theory and Application to a Random Heteropolymer Model of Protein-Folding
Bryngelson JD
6046 - 6054 Rotational Reorientation Dynamics of Disperse Red-1 in Polystyrene - Alpha-Relaxation Dynamics Probed by 2nd-Harmonic Generation and Dielectric-Relaxation
Dhinojwala A, Wong GK, Torkelson JM
6055 - 6061 Hydrodynamic Shielding Induced Stability of Zipping Macromolecules in Elongational Flows
Agarwal US, Mashelkar RA
6062 - 6072 Measurement of the Molecular Content of Binary Nuclei .2. Use of the Nucleation Rate Surface for Water-Ethanol
Viisanen Y, Strey R, Laaksonen A, Kulmala M
6073 - 6081 Stochastic-Model for the A+b2 Surface-Reaction - Island Formation and Complete Segregation
Mai J, Kuzovkov VN, Vonniessen W
6082 - 6087 Lattice Model for Polymer Propagation in Confined Media
Tribet C, Provata A, Nicolis G
6088 - 6091 Numerical Test of the Generalized Flory and Generalized Flory Dimer Theories
Mooij GC, Frenkel D
6092 - 6097 Coadsorbate Induced Compression of Sulfur Overlayers on Re(0001) and Pt(111) by Co
Dunphy JC, Mcintyre BJ, Gomez J, Ogletree DF, Somorjai GA, Salmeron MB
6098 - 6100 New Measurement Method of the Autocorrelation Function in the Quasi-Elastic Light-Scattering with the Sinusoidal Electric-Field
Ito K, Ooi S, Nishi N, Kimura Y, Hayakawa R
6101 - 6101 Quadratic Steepest Descent on Potential-Energy Surfaces .4. Adaptation to Singular Hessians
Ruedenberg K, Sun JQ
6102 - 6103 A Note on the Temperature-Dependence of Dielectric Strength in Supercooled Liquids
Murthy SS
6104 - 6104 Pair Interaction Energy Between Deformable Drops and Bubbles, (Vol 99, Pg 7179, 1993)
Danov KD, Petsev DN, Denkov ND, Borwankar R