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Issues
8 October 1999
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
Enhanced orientation of polar molecules by combined electrostatic and nonresonant induced dipole forces
J. Chem. Phys. 111, 6157–6160 (1999)
https://doi.org/10.1063/1.479917
The 1 electronic spectrum of in the gas phase
J. Chem. Phys. 111, 6161–6163 (1999)
https://doi.org/10.1063/1.479918
THEORETICAL METHODS AND ALGORITHMS
Different description levels of chemical wave front and propagation speed selection
J. Chem. Phys. 111, 6190–6196 (1999)
https://doi.org/10.1063/1.479923
Alternative definition of exchange-correlation charge in density functional theory
J. Chem. Phys. 111, 6197–6203 (1999)
https://doi.org/10.1063/1.479924
Quaternion symmetry in relativistic molecular calculations: The Dirac–Hartree–Fock method
J. Chem. Phys. 111, 6211–6222 (1999)
https://doi.org/10.1063/1.479958
Linear scaling computation of the Fock matrix. IV. Multipole accelerated formation of the exchange matrix
J. Chem. Phys. 111, 6223–6229 (1999)
https://doi.org/10.1063/1.479926
A spline approach to trial wave functions for variational and diffusion Monte Carlo
J. Chem. Phys. 111, 6230–6237 (1999)
https://doi.org/10.1063/1.479927
GAS PHASE DYNAMICS AND STRUCTURE: SPECTROSCOPY, MOLECULAR INTERACTIONS, SCATTERING, AND PHOTOCHEMISTRY
Ultrafast extended x-ray absorption fine structure (EXAFS)—theoretical considerations
J. Chem. Phys. 111, 6238–6246 (1999)
https://doi.org/10.1063/1.479928
Theory and analysis of sodium dimer Rydberg states observed by all-optical triple resonance spectroscopy
J. Chem. Phys. 111, 6247–6252 (1999)
https://doi.org/10.1063/1.479929
Ultrafast internal conversion and photodissociation of molecules excited by femtosecond 155 nm laser pulses
J. Chem. Phys. 111, 6264–6270 (1999)
https://doi.org/10.1063/1.479932
Photodissociation dynamics of ethanol at 193.3 nm: The H-atom channel and ethoxy vibrational distribution
J. Chem. Phys. 111, 6271–6282 (1999)
https://doi.org/10.1063/1.479960
Emission by collisional –He pairs at temperatures from 2 to 20 kK
J. Chem. Phys. 111, 6283–6289 (1999)
https://doi.org/10.1063/1.479933
Quantum Monte Carlo study of rovibrational states utilizing rotating wavefunctions: Application to O
J. Chem. Phys. 111, 6311–6315 (1999)
https://doi.org/10.1063/1.479935
Interpolated potential energy surface and reaction dynamics for and
J. Chem. Phys. 111, 6322–6332 (1999)
https://doi.org/10.1063/1.479937
Electronic isomers in cluster anions. II. Ab initio calculations
J. Chem. Phys. 111, 6333–6344 (1999)
https://doi.org/10.1063/1.479964
Microwave spectrum of the NI radical in the ground state
J. Chem. Phys. 111, 6345–6349 (1999)
https://doi.org/10.1063/1.479938
Determination of the heat of formation of using vacuum ultraviolet laser-induced fluorescence spectroscopy and two-dimensional product imaging techniques
Nori Taniguchi; Kenshi Takahashi; Yutaka Matsumi; Scott M. Dylewski; Joseph D. Geiser; Paul L. Houston
J. Chem. Phys. 111, 6350–6355 (1999)
https://doi.org/10.1063/1.479939
Laser-induced fluorescence of the radical
J. Chem. Phys. 111, 6356–6362 (1999)
https://doi.org/10.1063/1.479961
The tetrahydrofuran⋯hydrogen chloride complex: Rotational spectrum and theoretical analysis
J. Chem. Phys. 111, 6363–6374 (1999)
https://doi.org/10.1063/1.479962
Rotational spectrum, ring-puckering vibration and ab initio calculations on 1,1-difluorocyclobutane
J. Chem. Phys. 111, 6375–6384 (1999)
https://doi.org/10.1063/1.479959
Low-energy electron scattering by and
J. Chem. Phys. 111, 6396–6406 (1999)
https://doi.org/10.1063/1.480017
An experimental and theoretical study of the spin–orbit interaction for and
J. Chem. Phys. 111, 6413–6421 (1999)
https://doi.org/10.1063/1.479941
The chemistry of superheavy elements. III. Theoretical studies on element 113 compounds
J. Chem. Phys. 111, 6422–6433 (1999)
https://doi.org/10.1063/1.480168
Ab initio potential energy surfaces of He- and Ne- van der Waals complexes
J. Chem. Phys. 111, 6439–6445 (1999)
https://doi.org/10.1063/1.480021
Description of spin interactions in model supercluster
J. Chem. Phys. 111, 6446–6455 (1999)
https://doi.org/10.1063/1.480024
CONDENSED PHASE DYNAMICS, STRUCTURE, AND THERMODYNAMICS: SPECTROSCOPY, REACTIONS, AND RELAXATION
Resonance Raman spectroscopy of matrix-isolated mass-selected and
J. Chem. Phys. 111, 6456–6461 (1999)
https://doi.org/10.1063/1.480014
Ultrafast spectroscopy of dark states in solid state sexithiophene
J. Chem. Phys. 111, 6474–6480 (1999)
https://doi.org/10.1063/1.479944
Intermolecular energy transfer in liquid water and its contribution to heat conduction: A molecular dynamics study
J. Chem. Phys. 111, 6492–6500 (1999)
https://doi.org/10.1063/1.480025
Homogeneous nucleation rates of supercooled water measured in single levitated microdroplets
J. Chem. Phys. 111, 6521–6527 (1999)
https://doi.org/10.1063/1.479946
Numerical simulations of Coulomb systems: A comparison between hyperspherical and periodic boundary conditions
J. Chem. Phys. 111, 6528–6537 (1999)
https://doi.org/10.1063/1.479947
Thermodynamic limit of the excess internal energy of the fluid phase of a one-component plasma: A Monte Carlo study
J. Chem. Phys. 111, 6538–6547 (1999)
https://doi.org/10.1063/1.479965
Spin echoes of nuclear magnetization diffusing in a constant magnetic field gradient and in a restricted geometry
J. Chem. Phys. 111, 6548–6555 (1999)
https://doi.org/10.1063/1.480009
SURFACES, INTERFACES, AND MATERIALS
Dissociation of by its impact on silicon surface: The role of core ion
J. Chem. Phys. 111, 6565–6572 (1999)
https://doi.org/10.1063/1.480008
Structure of binary hard-sphere mixtures near a hard wall: A simple weighted-density-functional approach
J. Chem. Phys. 111, 6573–6578 (1999)
https://doi.org/10.1063/1.479948
CO-oxidation model with superlattice ordering of adsorbed oxygen. I. Steady-state bifurcations
J. Chem. Phys. 111, 6579–6589 (1999)
https://doi.org/10.1063/1.479949
Investigations of surface forces between gypsum crystals in electrolytic solutions using microcantilevers
J. Chem. Phys. 111, 6590–6598 (1999)
https://doi.org/10.1063/1.479950
POLYMERS, BIOPOLYMERS, AND COMPLEX SYSTEMS
Universal correlation between energy gap and foldability for the random energy model and lattice proteins
J. Chem. Phys. 111, 6599–6609 (1999)
https://doi.org/10.1063/1.479951
Analytical rebridging Monte Carlo: Application to cis/trans isomerization in proline-containing, cyclic peptides
J. Chem. Phys. 111, 6625–6632 (1999)
https://doi.org/10.1063/1.479952
Integral equation theory of flexible polyelectrolytes. II. Primitive model approach
J. Chem. Phys. 111, 6633–6642 (1999)
https://doi.org/10.1063/1.479953
Theoretical characterization of the electronic properties of extended thienylenevinylene oligomers
J. Chem. Phys. 111, 6643–6649 (1999)
https://doi.org/10.1063/1.480012
NOTES
The fluorescence excitation spectra of the transition of biacetyl: Determination of the band origin
J. Chem. Phys. 111, 6650–6651 (1999)
https://doi.org/10.1063/1.480013
ERRATA
The Amsterdam Modeling Suite
Evert Jan Baerends, Nestor F. Aguirre, et al.
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.