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Issues
15 July 1999
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
THEORETICAL METHODS AND ALGORITHMS
Nonequilibrium distribution function theory of diffusion-influenced reversible energy-transfer reactions
J. Chem. Phys. 111, 804–815 (1999)
https://doi.org/10.1063/1.479198
Learning to interpolate molecular potential energy surfaces with confidence: A Bayesian approach
J. Chem. Phys. 111, 816–826 (1999)
https://doi.org/10.1063/1.479368
Size-extensive calculations of static structure factors from the coupled cluster singles and doubles model
J. Chem. Phys. 111, 827–832 (1999)
https://doi.org/10.1063/1.479369
A formal method for solving the stationary BBGKY hierarchy for a classical inhomogeneous fluid
J. Chem. Phys. 111, 833–841 (1999)
https://doi.org/10.1063/1.479447
Geometric investigation of low-dimensional manifolds in systems approaching equilibrium
J. Chem. Phys. 111, 859–874 (1999)
https://doi.org/10.1063/1.479372
Accurate dipole moments from Hartree–Fock calculations by means of class IV charges
J. Chem. Phys. 111, 885–892 (1999)
https://doi.org/10.1063/1.479199
Kinetic energy density dependent approximations to the exchange energy
J. Chem. Phys. 111, 911–915 (1999)
https://doi.org/10.1063/1.479374
GAS PHASE DYNAMICS AND STRUCTURE: SPECTROSCOPY, MOLECULAR INTERACTIONS, SCATTERING, AND PHOTOCHEMISTRY
The photodissociation of carbonyl cyanide at 193 nm studied by photofragment translational energy spectroscopy
J. Chem. Phys. 111, 923–930 (1999)
https://doi.org/10.1063/1.479376
Thermodynamic investigation of the AlNC and AlCN isomers by Knudsen cell mass spectrometry
J. Chem. Phys. 111, 969–972 (1999)
https://doi.org/10.1063/1.479379
The He–LiH potential energy surface revisited. I. An interpolated rigid rotor surface
J. Chem. Phys. 111, 973–980 (1999)
https://doi.org/10.1063/1.479188
A three-dimensional potential energy surface for Ab initio calculations and a multiproperty fit
Jason Williams; Andreas Rohrbacher; Jeonghee Seong; Neelan Marianayagam; Kenneth C. Janda; Rudolf Burcl; M. M. Szcześniak; Grzegorz Chałasiński; Sławomir M. Cybulski; Nadine Halberstadt
J. Chem. Phys. 111, 997–1007 (1999)
https://doi.org/10.1063/1.479190
The vibrational energy pattern in acetylene. V.
J. Chem. Phys. 111, 1008–1016 (1999)
https://doi.org/10.1063/1.479381
The relaxation from linear to triangular probed by femtosecond resonant two-photon ionization
J. Chem. Phys. 111, 1017–1021 (1999)
https://doi.org/10.1063/1.479382
Measurement of the product differential cross section for the exchange reaction at using the photoloc technique
J. Chem. Phys. 111, 1022–1034 (1999)
https://doi.org/10.1063/1.479294
CONDENSED PHASE DYNAMICS, STRUCTURE, AND THERMODYNAMICS: SPECTROSCOPY, REACTIONS, AND RELAXATION
A simple model of tracer-diffusion of nonspherical Brownian particles
J. Chem. Phys. 111, 1049–1059 (1999)
https://doi.org/10.1063/1.479296
Intermediate-time tracer-diffusion of nonspherical Brownian particles
J. Chem. Phys. 111, 1060–1067 (1999)
https://doi.org/10.1063/1.479192
Simulation studies of liquid ammonia by classical ab initio, classical, and path-integral molecular dynamics
J. Chem. Phys. 111, 1096–1103 (1999)
https://doi.org/10.1063/1.479194
Molecular dynamics simulation of formamide in water using density functional theory and classical potentials
J. Chem. Phys. 111, 1117–1125 (1999)
https://doi.org/10.1063/1.479299
Revisiting angular jump models of molecular reorientations in viscous liquids
J. Chem. Phys. 111, 1126–1136 (1999)
https://doi.org/10.1063/1.479196
Multidimensional solvation dynamical effects on quantum yields in model triad systems
J. Chem. Phys. 111, 1137–1157 (1999)
https://doi.org/10.1063/1.479197
SURFACES, INTERFACES, AND MATERIALS
Ultraviolet-laser induced desorption of NO from the surface: Involvement of a precursor state?
J. Chem. Phys. 111, 1158–1168 (1999)
https://doi.org/10.1063/1.479300
Molecular processes of adsorption and desorption of alkanethiol monolayers on Au(111)
J. Chem. Phys. 111, 1175–1184 (1999)
https://doi.org/10.1063/1.479302
Femtosecond probing of exciton relaxation and transport dynamics in polybithiophene
J. Chem. Phys. 111, 1185–1190 (1999)
https://doi.org/10.1063/1.479303
Energy transfer with migration. Generalization of the Yokota–Tanimoto model for any kind of multipole interaction
J. Chem. Phys. 111, 1191–1194 (1999)
https://doi.org/10.1063/1.479304
Discrete dipole approximation for ultraviolet–visible extinction spectra simulation of silver and gold colloids
J. Chem. Phys. 111, 1195–1208 (1999)
https://doi.org/10.1063/1.479305
Diffusion mechanisms of normal alkanes in faujasite zeolites
J. Chem. Phys. 111, 1209–1222 (1999)
https://doi.org/10.1063/1.479306
Motion of interlamellar hydrated sodium ions in layered
J. Chem. Phys. 111, 1231–1239 (1999)
https://doi.org/10.1063/1.479308
Effect of the transient mobility in two-dimensional continuum deposition
J. Chem. Phys. 111, 1265–1272 (1999)
https://doi.org/10.1063/1.479311
Molecular dynamics simulation of the rheological and dynamical properties of a model alkane fluid under confinement
J. Chem. Phys. 111, 1273–1280 (1999)
https://doi.org/10.1063/1.479312
Constant surface tension simulations of lipid bilayers: The sensitivity of surface areas and compressibilities
J. Chem. Phys. 111, 1281–1287 (1999)
https://doi.org/10.1063/1.479313
A high resolution electron energy loss spectroscopy study of the Fermi resonance of adsorbed on a Ag(110)/ layer
J. Chem. Phys. 111, 1288–1292 (1999)
https://doi.org/10.1063/1.479314
POLYMERS, BIOPOLYMERS, AND COMPLEX SYSTEMS
Vapor–liquid equilibria of vibrating square well chains
J. Chem. Phys. 111, 1293–1301 (1999)
https://doi.org/10.1063/1.479315
Conformational properties of polymer chains in the theta region
J. Chem. Phys. 111, 1302–1308 (1999)
https://doi.org/10.1063/1.479316
Molecular dynamics simulations of dielectric relaxation of concentrated polymer solutions
J. Chem. Phys. 111, 1325–1334 (1999)
https://doi.org/10.1063/1.479318
NOTES
Tunneling manifold of two noninteracting torsional oscillators in polycrystalline ammonium iodide
J. Chem. Phys. 111, 1335–1336 (1999)
https://doi.org/10.1063/1.479385
ERRATA
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.