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Issues
22 February 1999
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
Photodetachment photoelectron spectroscopy of doubly charged anions:
J. Chem. Phys. 110, 3635–3638 (1999)
https://doi.org/10.1063/1.478251
Unusual conical intersections in the Jahn–Teller effect: The electronically excited states of
J. Chem. Phys. 110, 3639–3642 (1999)
https://doi.org/10.1063/1.478252
What causes the vibrational lifetime plateau in supercritical fluids?
J. Chem. Phys. 110, 3643–3646 (1999)
https://doi.org/10.1063/1.478253
THEORETICAL METHODS AND ALGORITHMS
On the Feynman path centroid density for Bose-Einstein and Fermi-Dirac statistics
J. Chem. Phys. 110, 3647–3652 (1999)
https://doi.org/10.1063/1.478254
Improving the efficiency of the Herman–Kluk propagator by time integration
J. Chem. Phys. 110, 3653–3659 (1999)
https://doi.org/10.1063/1.478255
Linear scaling second-order Moller–Plesset theory in the atomic orbital basis for large molecular systems
J. Chem. Phys. 110, 3660–3671 (1999)
https://doi.org/10.1063/1.478256
Anharmonic force fields from analytic CCSD(T) second derivatives: HOF and
J. Chem. Phys. 110, 3687–3696 (1999)
https://doi.org/10.1063/1.478258
Adiabatic bias molecular dynamics: A method to navigate the conformational space of complex molecular systems
J. Chem. Phys. 110, 3697–3702 (1999)
https://doi.org/10.1063/1.478259
A novel quantum Monte Carlo strategy: Surplus function approach
J. Chem. Phys. 110, 3703–3707 (1999)
https://doi.org/10.1063/1.478260
Intermolecular multiple-quantum coherence transfer echoes and multiple echoes in nuclear magnetic resonance
J. Chem. Phys. 110, 3708–3713 (1999)
https://doi.org/10.1063/1.478261
GAS PHASE DYNAMICS AND STRUCTURE: SPECTROSCOPY, MOLECULAR INTERACTIONS, SCATTERING, AND PHOTOCHEMISTRY
Spectroscopic constants of gold and eka-gold (element 111) diatomic compounds: The importance of spin–orbit coupling
J. Chem. Phys. 110, 3730–3735 (1999)
https://doi.org/10.1063/1.478237
Femtosecond photoelectron spectroscopy of the anion: A semiclassical molecular dynamics simulation method
J. Chem. Phys. 110, 3736–3747 (1999)
https://doi.org/10.1063/1.478263
Femtosecond photoelectron spectroscopy of the anion: Characterization of the excited state
J. Chem. Phys. 110, 3748–3755 (1999)
https://doi.org/10.1063/1.478264
All the nonadiabatic bound states of
J. Chem. Phys. 110, 3756–3764 (1999)
https://doi.org/10.1063/1.478265
Inversion in the relative stabilities of HBO and BOH upon ionization
J. Chem. Phys. 110, 3765–3768 (1999)
https://doi.org/10.1063/1.478266
Infrared spectrum of matrix isolated ClSiO and ab initio calculations
J. Chem. Phys. 110, 3769–3772 (1999)
https://doi.org/10.1063/1.478267
Characterization of the lowest triplet states of linear form by anion photoelectron spectroscopy
J. Chem. Phys. 110, 3781–3784 (1999)
https://doi.org/10.1063/1.478269
Intermolecular potential of carbon dioxide dimer from symmetry-adapted perturbation theory
Robert Bukowski; Joanna Sadlej; Bogumił Jeziorski; Piotr Jankowski; Krzysztof Szalewicz; Stanisław A. Kucharski; Hayes L. Williams; Betsy M. Rice
J. Chem. Phys. 110, 3785–3803 (1999)
https://doi.org/10.1063/1.479108
Ab initio theoretical study of dipole–bound anions of molecular complexes: Water pentamer anions
J. Chem. Phys. 110, 3804–3810 (1999)
https://doi.org/10.1063/1.478796
Electron-impact total ionization cross sections of and
J. Chem. Phys. 110, 3811–3822 (1999)
https://doi.org/10.1063/1.478270
Quantum dynamics of chirped excitation of multimode systems
J. Chem. Phys. 110, 3823–3834 (1999)
https://doi.org/10.1063/1.478271
Application of a general classical variational theory to the reaction
J. Chem. Phys. 110, 3842–3855 (1999)
https://doi.org/10.1063/1.478238
The infrared spectrum of studied in the gas phase by laser magnetic resonance
J. Chem. Phys. 110, 3861–3869 (1999)
https://doi.org/10.1063/1.478240
CONDENSED PHASE DYNAMICS, STRUCTURE, AND THERMODYNAMICS: SPECTROSCOPY, REACTIONS, AND RELAXATION
Thermodynamic analysis of the solvent effect on tautomerization of acetylacetone: An ab initio approach
J. Chem. Phys. 110, 3938–3945 (1999)
https://doi.org/10.1063/1.478249
Long time behavior of reversible diffusion-influenced reaction perturbed by photolysis: Brownian dynamics simulation
J. Chem. Phys. 110, 3946–3950 (1999)
https://doi.org/10.1063/1.478273
Contraction of the model for the Bray–Liebhafsky oscillatory reaction by eliminating intermediate
J. Chem. Phys. 110, 3951–3954 (1999)
https://doi.org/10.1063/1.478274
SURFACES, INTERFACES, AND MATERIALS
Length and occupancy dependence of the tracer exchange in single-file systems
J. Chem. Phys. 110, 3970–3980 (1999)
https://doi.org/10.1063/1.478277
Molecular dynamics study of Sn-1 and Sn-2 chain conformations in dipalmitoylphosphatidylcholine membranes
J. Chem. Phys. 110, 3981–3985 (1999)
https://doi.org/10.1063/1.478278
Effect of the cluster size in modeling the desorption and dissociative adsorption on Si(001)
J. Chem. Phys. 110, 3986–3994 (1999)
https://doi.org/10.1063/1.478279
Pressure dependence of spin–orbit levels of in
J. Chem. Phys. 110, 3995–3999 (1999)
https://doi.org/10.1063/1.478280
Intriguing kinetics for chlorine etching of the surface
J. Chem. Phys. 110, 4009–4012 (1999)
https://doi.org/10.1063/1.479107
Clustering and continuum percolation of hard spheres near a hard wall: Monte Carlo simulation and connectedness theory
J. Chem. Phys. 110, 4028–4034 (1999)
https://doi.org/10.1063/1.478284
POLYMERS, BIOPOLYMERS, AND COMPLEX SYSTEMS
Determination of orientational distributions from 2H NMR data by a regularization method
J. Chem. Phys. 110, 4035–4046 (1999)
https://doi.org/10.1063/1.478285
Fluid transport properties by equilibrium molecular dynamics. I. Methodology at extreme fluid states
J. Chem. Phys. 110, 4047–4059 (1999)
https://doi.org/10.1063/1.478286
Fluid transport properties by equilibrium molecular dynamics. II. Multicomponent systems
J. Chem. Phys. 110, 4060–4067 (1999)
https://doi.org/10.1063/1.478287
Conjugated polymer aggregates in solution: Control of interchain interactions
J. Chem. Phys. 110, 4068–4078 (1999)
https://doi.org/10.1063/1.478288
Spinodal decomposition of symmetric diblock copolymer/homopolymer blends at the Lifshitz point
J. Chem. Phys. 110, 4079–4089 (1999)
https://doi.org/10.1063/1.478289
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.
Freezing point depression of salt aqueous solutions using the Madrid-2019 model
Cintia P. Lamas, Carlos Vega, et al.