화학공학소재연구정보센터

Journal of Chemical Physics

Journal of Chemical Physics, Vol.100, No.6 Entire volume, number list
ISSN: 0021-9606 (Print) 

In this Issue (84 articles)

4033 - 4038 Infrared Diode-Laser Spectroscopy of the Nu(3) Fundamental and Nu(3)+nu(5)-Nu(5) Sequence Bands of the C-4 Radical in a Hollow-Cathode Discharge
Moazzenahmadi N, Thong JJ, Mckellar AR
4039 - 4042 On the Static Dielectric Function of the Sticky Electrolyte Model
Pizio O, Quintana J
4043 - 4055 266-nm CH3I Photodissociation - CH3 Spectra and Population-Distributions by Coherent Raman-Spectroscopy
Zahedi M, Harrison JA, Nibler JW
4056 - 4064 Missing Mode Effect in Resonance Raman Excitation Profile
Lee SY, Chang HY
4065 - 4076 On the Interpretation and Rotational Assignment of Degenerate 4-Wave-Mixing Spectra - 4-Photon Line Strengths for Crossover Resonances in No-A (2)Sigma(+)-X (2)Pi
Friedmanhill EJ, Rahn LA, Farrow RL
4077 - 4086 High-Resolution Infrared-Spectroscopy of Pyrazine and Naphthalene in a Molecular-Beam
Hewett KB, Shen MH, Brummel CL, Philips LA
4087 - 4092 The Sigma-Asterisk Absorption Peak at the Oxygen 1S Edge of O-2 - Exchange Splitting, Ultrafast Dissociation, and Atomic-Like Auger-Spectra
Kuiper P, Dunlap BI
4093 - 4109 Hybrid Simulations of Solvation Effects on Electronic-Spectra - Indoles in Water
Muino PL, Callis PR
4110 - 4126 Sic2 - A Molecular Pinwheel
Ross SC, Butenhoff TJ, Rohlfing EA, Rohlfing CM
4127 - 4137 Determination of Hyperfine Interaction Matrix Principal Values and Principal Axis Orientations in an Orientationally Disordered Solid - A Multifrequency Electron-Spin Echo Envelope Modulation Study of N-15 in a Copper(II)-N-15-Imidazole Complex
Gerfen GJ, Singel DJ
4138 - 4155 Laser Spectroscopy of the Low-Lying Electronic States of NbN - Electron-Spin and Hyperfine Effects in the States from the Configurations Sigma-Delta and Delta-Pi
Azuma Y, Huang G, Lyne MP, Merer AJ, Srdanov VI
4156 - 4164 The B(-X Electronic-Spectra of N-2(+)-Ne(N) (1-Less-Than-or-Equal-to-N-Less-Than-or-Equal-to-8)
Bieske EJ, Soliva AM, Friedmann A, Maier JP
4165 - 4170 Perturbative Treatments of Pump-Probe Laser-Molecule Interactions with Applications to Azulene and Trimethylazulene
Tran P, Meath WJ, Wagner BD, Steer RP
4171 - 4180 Microwave Spectroscopic Investigation of the Mixed Rare-Gas Van-der-Waals Trimers Ne2-Kr and Ne2-Xe
Xu YJ, Jager W, Gerry MC
4181 - 4187 The Long-Time Behavior of Reversible Binary Reactions - Theory, Brownian Simulations and Experiment
Agmon N, Edelstein AL
4188 - 4199 Rotational Resonance States of Ar-HCl(V=0) by Finite-Range Scattering Wave-Function Method
Jang HW, Choi SE, Light JC
4200 - 4210 Cluster Effects in O-3/H2O Photochemistry - Dynamics of the O+h2O-)2Oh Reaction Photoinitiated in the O-3-Center-Dot-H2O Dimer
King DS, Sauder DG, Casassa MP
4211 - 4228 Optimally Controlled 5-Laser Infrared Multiphoton Dissociation of HF
Kaluza M, Muckerman JT, Gross P, Rabitz H
4229 - 4241 Ultralow Temperature Kinetics of Neutral-Neutral Reactions - The Technique and Results for the Reactions Cn+o-2 Down to 13 K and Cn+nh3 Down to 25 K
Sims IR, Queffelec JL, Defrance A, Rebrionrowe C, Travers D, Bocherel P, Rowe BR, Smith IW
4242 - 4252 Photodissociation of ICN in Solid and in Liquid Ar - Dynamics of the Cage Effect and of Excited-State Isomerization
Krylov AI, Gerber RB
4253 - 4255 Potential-Energy Surface for the Hydrogen-Iodine Reaction
Anderson JB
4256 - 4271 Fluctuations in the Unimolecular Decomposition of Jet-Cooled NO2 - Implications for Overlapping Resonances and the Transition-State
Reid SA, Robie DC, Reisler H
4272 - 4283 Ab-Initio Study of the Intermolecular Potential of the Water-Carbon Monoxide Complex
Sadlej J, Buch V
4284 - 4293 Constant Centrifugal Potential Approximation for Atom-Diatom Chemical-Reaction Dynamics
Moribayashi K, Takada S, Nakamura H
4294 - 4299 The Dissociative Ionization of Ethylene Dimers, Trimers, and Tetramers Studied by Photoelectron Photoion Coincidence
Booze JA, Feinberg TN, Keister JW, Baer T
4300 - 4307 Experimental-Observation of the Energy Threshold in the Ion-Molecule Reaction N++d-2-)Nd++d
Tosi P, Dmitriev O, Bassi D, Wick O, Gerlich D
4308 - 4315 Steric Effects in Total Integral Reaction Cross-Sections for Sr+hf(V=1,J=1,M=0)-)Srf+h
Loesch HJ, Stienkemeier F
4316 - 4323 Approximate Calculations of Transport-Properties for the He-CH4 System
Gianturco FA, Serna S
4324 - 4328 Trapping of Guests in a Rare-Gas Matrix - A Molecular-Dynamics Simulation
Fraenkel R, Haas Y
4329 - 4335 How Large Is the Effect of 1S Correlation on the D-E, Omega(E), and R(E) of N-2
Bauschlicher CW, Partridge H
4336 - 4346 The HeH2 Energy Surface
Muchnick P, Russek A
4347 - 4354 Carbonyl-Water Hydrogen-Bonding - The H2CO-H2O Prototype
Ramelot TA, Hu CH, Fowler JE, Deleeuw BJ, Schaefer HF
4355 - 4366 A Perturbed-Mean-Field Approach to the Decay-Rates of Excited Vibrational-States Is Extended Systems - An Application to I-2(Ne)(N)
Roitberg AE, Gerber RB, Ratner MA
4367 - 4376 The 1/Z Expansion and Renormalization of the Large-Dimension Limit for Many-Electron Atoms
Kais S, Herschbach DR
4377 - 4392 Integral Expressions for the Semiclassical Time-Dependent Propagator
Kay KG
4393 - 4400 Calculation of Size-Intensive Transition Moments from the Coupled Cluster Singles and Doubles Linear-Response Function
Koch H, Kobayashi R, Demeras AS, Jorgensen P
4401 - 4407 Pt3Au and Ptau Clusters - Electronic States and Potential-Energy Surfaces
Dai D, Balasubramanian K
4408 - 4416 The Calculation of Molecular Response Properties Using Perturbed Spin-Coupled Wave-Functions .1. Basic Theory
Hyams PA, Gerratt J, Cooper DL, Raimondi M
4417 - 4431 The Calculation of Molecular Response Properties Using Perturbed Spin-Coupled Wave-Functions .2. Polarizability and Magnetic-Susceptibility of H-2 and Lih as Functions of Internuclear Distance
Hyams PA, Gerratt J, Cooper DL, Raimondi M
4432 - 4445 Numerical Study of Semiclassical Initial-Value Methods for Dynamics
Kay KG
4446 - 4452 Tests of Nonlocal Kinetic-Energy Functionals
Lacks DJ, Gordon RG
4453 - 4458 Ab-Initio Study on Quartet States of Non-Kekule-Type Molecules 1,3,5-Trimethylenebenzene and 1,3,5-Triaminobenzene Trication
Yoshizawa K, Hatanaka M, Matsuzaki Y, Tanaka K, Yamabe T
4459 - 4466 The Inversion Barrier in Nf3+
Yates BF, Schaefer HF
4467 - 4476 Vibrational Contributions to Static Polarizabilities and Hyperpolarizabilities
Cohen MJ, Willetts A, Amos RD, Handy NC
4477 - 4483 Transition-State Structures and Reaction Profiles from Constrained Optimization Procedure - Implementation in the Framework of Density-Functional Theory
Abashkin Y, Russo N
4484 - 4486 What Is the Global Minimum Energy Structure of the Water Hexamer - The Importance of Nonadditive Interactions
Mhin BJ, Kim JS, Lee S, Lee JY, Kim KS
4487 - 4497 Relativistic Effects in Gold Chemistry .5. Group 11-Dipole Polarizabilities and Weak Bonding in Monocarbonyl Compounds
Schwerdtfeger P, Bowmaker GA
4498 - 4508 The H-Nco Bond-Energy and Delta-H-F(0) (Nco) from Photoionization Mass-Spectrometric Studies of HNCO and Nco
Ruscic B, Berkowitz J
4509 - 4517 Nonequilibrium Mass and Heat-Transport in Polymers - Spectroscopic Approach
Huang JB, Urban MW
4518 - 4526 Elastic-Constants, Interatomic Forces, and Equation of State of Beta-Oxygen at High-Pressure
Abramson EH, Slutsky LJ, Brown JM
4527 - 4530 Effects of Solvent Exclusion on the Force Between Charged Surfaces in Electrolyte Solution
Tang ZX, Scriven LE, Davis HT
4531 - 4536 Test of a Simple-Model of the Intermolecular Potential for the Condensed Phases of C-70
Pickholz M, Gamba Z
4537 - 4542 Viscosity Renormalization in Colloidal Suspensions
Allain C, Cloitre M, Lacoste B, Marsone I
4543 - 4547 Critical-Behavior of a Cationic Surfactant in an Aqueous Salt Solution
Kubota K, Kuwahara N, Sato H
4548 - 4553 Intergranular Liquid in Solids and Premelting of Ice
Johari GP, Pascheto W, Jones SJ
4554 - 4568 Monte-Carlo Treatment of the Nonradiative Energy-Transfer Process for Nonrandom Placements of Dopants in Solids
Barbosagarcia O, Struck CW
4569 - 4574 Dynamic Sedimentation of Linear Micellar Aggregates in a Centrifugal Field
Duyndam A, Odijk T
4575 - 4581 Simulations in Planar Slits at Constant Chemical-Potential
Svensson B, Woodward CE
4582 - 4590 The Excess Thermodynamic Properties of Liquid (Ch4+cd4)
Calado JC, Jancso G, Lopes JN, Marko L, Daponte MN, Rebelo LP, Staveley LA
4591 - 4600 Long-Time Dynamics in Poly(Dimethylsiloxane) Networks Studied by Deuterium Nuclear-Magnetic-Resonance
Sotta P, Deloche B
4601 - 4606 The Origin of Beta-Relaxation in Organic Glasses
Murthy SS, Sobhanadri J, Gangasharan
4607 - 4614 Autoionization of Excited Frenkel States in the Anthracene Crystal
Petelenz P, Mucha D
4615 - 4625 The Adsorption and Photochemistry of CD3I on TiO2(110)
Garrett SJ, Holbert VP, Stair PC, Weitz E
4626 - 4636 Wavelength Dependence of the Photodissociation and Photodesorption of CD3I Adsorbed on the TiO2(110) Surface
Garrett SJ, Holbert VP, Stair PC, Weitz E
4637 - 4644 Pattern-Formation of Constrained Acrylamide Sodium Acrylate Copolymer Gels in Acetone/Water Mixture
Li Y, Li CF, Hu HB
4645 - 4652 Temperature and Time Dependencies of Surface Patterns in Constrained Ionic N-Isopropylacrylamide Gels
Li CF, Hu ZB, Li Y
4653 - 4664 Lattice Cluster Theory of Compressible Diblock Copolymer Melts
Dudowicz J, Freed KF
4665 - 4673 Chain Dimensions Near the Critical Point
Biswas P, Cherayil BJ
4674 - 4682 Observation and Simulation of Electrohydrodynamic Instabilities in Aqueous Colloidal Suspensions
Hu Y, Glass JL, Griffith AE, Fraden S
4683 - 4690 Polymer-Induced Forces Between Colloidal Particles - A Monte-Carlo Simulation
Dickman R, Yethiraj A
4691 - 4694 Surface Segregation in Polymer Blends Due to Stiffness Disparity
Yethiraj A, Kumar S, Hariharan A, Schweizer KS
4695 - 4698 Analytic Energy Gradients for the Equation-of-Motion Coupled-Cluster Method - Implementation and Application to the HCN/HNC System
Stanton JF, Gauss J
4699 - 4702 In-Situ X-Ray Reflectivity Study of Incipient Oxidation of Pt(111) Surface in Electrolyte-Solutions
You H, Zurawski DJ, Nagy Z, Yonco RM
4703 - 4703 Parametrization of Kinetic-Energy Dependences of Ion Polar Molecule Collision Rate Constants by Trajectory Calculations
Su T
4704 - 4705 Effective Axilrod-Teller Interaction in Van-der-Waals Gases and Liquids
Stenschke H
4706 - 4707 Calculated Structure, Heat of Formation and Decomposition Energetics of 1,3-Dinitro-1,3-Diazacyclobutane
Grice ME, Habibollahzadeh D, Politzer P
4708 - 4709 In-115 Hexadecapole Interaction Upper Limit in InP-P-31-in-115 Exchange and Pseudodipolar Coupling-Constants
Sears RE, Ni QW
4710 - 4711 Calculated Pressure-Induced Phase-Transition in MgF2
Allan NL, Hines RI, Towler MD, Mackrodt WC
4712 - 4713 Influence of Bond-Length Variation on Correlated Static Exchange Potential - A Case-Study in E(-)-N2 Scattering
Ghose KB, Pal S
4714 - 4715 State-Specific Unimolecular Reaction of NO2, Just Above the Dissociation Threshold - Comment
Wittig C, Ionov SI
4716 - 4717 Comment on State-Specific Unimolecular Reaction of NO2 Just Above the Dissociation Threshold - Response
Miyawaki J, Yamanouchi K, Tsuchiya S
4718 - 4718 A New Diabatic Representation of the Coupled Potential-Energy Surfaces for Na(3P(2)P)+h-2-)Na(3S(2)S)+h-2 or Nah+h (Vol 96, Pg 2895, (1992)
Halvick P, Truhlar DG
4719 - 4719 Tertiary Interactions in a Model of the Helix-Coil Transition (Vol 99, Pg 6865, (1993)
Ebeling M, Nadler W
4720 - 4721 Theory and Simulation of Polar and Nonpolar Polarizable Fluids (Vol 99, Pg 6998, (1993)
Cao JS, Berne BJ