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Issues
1 October 1998
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
Spectroscopy and dynamics of the van der Waals complex
J. Chem. Phys. 109, 5171–5174 (1998)
https://doi.org/10.1063/1.477132
Transport coefficients of liquid transition metals: A computer simulation study using the embedded atom model
J. Chem. Phys. 109, 5175–5176 (1998)
https://doi.org/10.1063/1.477133
THEORETICAL METHODS AND ALGORITHMS
Resonance affected scattering: Comparison of two hybrid methods involving filter diagonalization and the Lanczos method
J. Chem. Phys. 109, 5177–5186 (1998)
https://doi.org/10.1063/1.477134
On mean residence and first passage times in finite one-dimensional systems
J. Chem. Phys. 109, 5187–5193 (1998)
https://doi.org/10.1063/1.477135
Coordinates scaling and multiple time step algorithms for simulation of solvated proteins in the NPT ensemble
J. Chem. Phys. 109, 5194–5202 (1998)
https://doi.org/10.1063/1.477136
Coupling-constant dependence of the density functional correlation energy
J. Chem. Phys. 109, 5212–5220 (1998)
https://doi.org/10.1063/1.477138
GAS PHASE DYNAMICS AND STRUCTURE: SPECTROSCOPY, MOLECULAR INTERACTIONS, SCATTERING, AND PHOTOCHEMISTRY
Resonance emission spectroscopy of predissociating Coupling with a repulsive state near 200 nm
J. Chem. Phys. 109, 5221–5230 (1998)
https://doi.org/10.1063/1.477139
Dissociation dynamics of acetylene Rydberg states as a function of excited state lifetime
J. Chem. Phys. 109, 5231–5246 (1998)
https://doi.org/10.1063/1.477140
Zero electron kinetic energy spectroscopy of the and anions
J. Chem. Phys. 109, 5247–5256 (1998)
https://doi.org/10.1063/1.477141
The chemical bonding and electronic structure of RhC, RhN, and RhO by anion photoelectron spectroscopy
J. Chem. Phys. 109, 5264–5268 (1998)
https://doi.org/10.1063/1.477143
Collision induced dissociation, proton abstraction, and charge transfer for low energy collisions involving
J. Chem. Phys. 109, 5269–5275 (1998)
https://doi.org/10.1063/1.477144
Rotational spectrum and structure of the trimer
J. Chem. Phys. 109, 5276–5282 (1998)
https://doi.org/10.1063/1.477145
A spectroscopic study of using the pump/probe microwave and the molecular beam/optical Stark techniques
J. Chem. Phys. 109, 5283–5289 (1998)
https://doi.org/10.1063/1.477146
An ab initio path integral molecular dynamics study of double proton transfer in the formic acid dimer
J. Chem. Phys. 109, 5290–5299 (1998)
https://doi.org/10.1063/1.477147
Collision energy dependence and product recoil velocity analysis of charge-transfer and chemical reaction channels
J. Chem. Phys. 109, 5300–5307 (1998)
https://doi.org/10.1063/1.477148
Electronic excitation of gaseous pyrrole and pyrazole by inner-shell electron energy loss spectroscopy
J. Chem. Phys. 109, 5308–5318 (1998)
https://doi.org/10.1063/1.477149
A helium atom scattering study of the structure and dynamics of a Xe monolayer on NaCl(001)
J. Chem. Phys. 109, 5319–5326 (1998)
https://doi.org/10.1063/1.477150
The dynamics of hydrogen abstraction reactions: Crossed-beam reaction
J. Chem. Phys. 109, 5338–5343 (1998)
https://doi.org/10.1063/1.476523
Binding energies of palladium carbonyl cluster anions: Collision-induced dissociation of
J. Chem. Phys. 109, 5344–5350 (1998)
https://doi.org/10.1063/1.477152
Submillimeter-wave spectrum of the radical in the ground electronic state
J. Chem. Phys. 109, 5351–5355 (1998)
https://doi.org/10.1063/1.477153
Accurate determination of molecular structures by x-ray absorption spectroscopy
J. Chem. Phys. 109, 5356–5362 (1998)
https://doi.org/10.1063/1.477154
Dynamic isotope effect on the product energy partitioning in
J. Chem. Phys. 109, 5363–5371 (1998)
https://doi.org/10.1063/1.477155
UV photodissociation dynamics of allyl radical by photofragment translational spectroscopy
J. Chem. Phys. 109, 5372–5382 (1998)
https://doi.org/10.1063/1.477156
Microwave spectra and structure of an isoxazole–CO Van der Waals complex
J. Chem. Phys. 109, 5383–5392 (1998)
https://doi.org/10.1063/1.477157
An ab initio derived torsional potential energy surface for the cyclic water tetramer
J. Chem. Phys. 109, 5393–5403 (1998)
https://doi.org/10.1063/1.477158
Four-dimensional model calculation of torsional levels of cyclic water tetramer
J. Chem. Phys. 109, 5404–5419 (1998)
https://doi.org/10.1063/1.477159
Microwave spectra of the Van der Waals complex: Experiment and theory
J. Chem. Phys. 109, 5420–5432 (1998)
https://doi.org/10.1063/1.477160
Rotational spectra of the carbon chain free radicals , , , and
J. Chem. Phys. 109, 5433–5438 (1998)
https://doi.org/10.1063/1.477161
Product rotational polarization in the photoinitiated bimolecular reaction on attractive, mixed and repulsive surfaces
J. Chem. Phys. 109, 5446–5454 (1998)
https://doi.org/10.1063/1.476522
CONDENSED PHASE DYNAMICS, STRUCTURE, AND THERMODYNAMICS: SPECTROSCOPY, REACTIONS, AND RELAXATION
Vibrational echo spectroscopy: Spectral selectivity from vibrational coherence
J. Chem. Phys. 109, 5455–5465 (1998)
https://doi.org/10.1063/1.477163
High resolution Raman study of phonon and vibron bandwidths in isotopically pure and natural benzene crystal
J. Chem. Phys. 109, 5469–5480 (1998)
https://doi.org/10.1063/1.477165
The Kauzmann paradox interpreted via the theory of frustration- limited-domains
J. Chem. Phys. 109, 5481–5486 (1998)
https://doi.org/10.1063/1.477166
Temperature dependent spectral densities and quantum activated rate theory
J. Chem. Phys. 109, 5487–5492 (1998)
https://doi.org/10.1063/1.477167
Preliminary study on the charge transfer and bond ionicity of binary crystals
J. Chem. Phys. 109, 5508–5510 (1998)
https://doi.org/10.1063/1.477169
Rotating-frame level matching study of tunneling in solid propionic acid
J. Chem. Phys. 109, 5542–5546 (1998)
https://doi.org/10.1063/1.477172
Potential models for simulations of the solvated proton in water
J. Chem. Phys. 109, 5547–5564 (1998)
https://doi.org/10.1063/1.477173
Theory of nonstationary activated rate processes: Nonexponential kinetics
J. Chem. Phys. 109, 5565–5575 (1998)
https://doi.org/10.1063/1.477174
Nonlinear optical response of molecules in a nonequilibrium solvation model
J. Chem. Phys. 109, 5576–5584 (1998)
https://doi.org/10.1063/1.477175
SURFACES, INTERFACES, AND MATERIALS
Adsorption of CO on Rh(100) studied by ab initio local-density functional calculations
J. Chem. Phys. 109, 5585–5595 (1998)
https://doi.org/10.1063/1.477176
Adsorption mechanisms and surface heterogeneity in the oxidation reaction of CO
J. Chem. Phys. 109, 5607–5613 (1998)
https://doi.org/10.1063/1.477178
POLYMERS, BIOPOLYMERS, AND COMPLEX SYSTEMS
Small-angle x-ray scattering analysis of polymer-protected platinum, rhodium, and platinum/rhodium colloidal dispersions
J. Chem. Phys. 109, 5627–5638 (1998)
https://doi.org/10.1063/1.477181
A theory for compressible binary lattice polymers: Influence of chain conformational properties
J. Chem. Phys. 109, 5639–5650 (1998)
https://doi.org/10.1063/1.477182
A theoretical study of Gemini surfactant phase behavior
J. Chem. Phys. 109, 5651–5658 (1998)
https://doi.org/10.1063/1.477183
Finite chain length effects on the coil–globule transition of stiff-chain macromolecules: A Monte Carlo simulation
J. Chem. Phys. 109, 5659–5669 (1998)
https://doi.org/10.1063/1.477184
Vapor–liquid equilibria of linear and branched alkanes from perturbation theory
J. Chem. Phys. 109, 5681–5690 (1998)
https://doi.org/10.1063/1.477186
COMMENTS
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.