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Issues
1 September 1999
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
Population and coherence control by three-pulse four-wave mixing
J. Chem. Phys. 111, 3779–3782 (1999)
https://doi.org/10.1063/1.479679
THEORETICAL METHODS AND ALGORITHMS
Excited-state reversible geminate recombination with quenching in one dimension
J. Chem. Phys. 111, 3791–3799 (1999)
https://doi.org/10.1063/1.479682
The utility of many-body decompositions for the accurate basis set extrapolation of ab initio data
J. Chem. Phys. 111, 3806–3811 (1999)
https://doi.org/10.1063/1.479683
Interaction optimized basis sets for correlated ab initio calculations on the water dimer
J. Chem. Phys. 111, 3812–3819 (1999)
https://doi.org/10.1063/1.479684
GAS PHASE DYNAMICS AND STRUCTURE: SPECTROSCOPY, MOLECULAR INTERACTIONS, SCATTERING, AND PHOTOCHEMISTRY
Theoretical study of the electronic ground state of iron(II) porphine. II
J. Chem. Phys. 111, 3837–3845 (1999)
https://doi.org/10.1063/1.479687
High-level ab initio computations of structures and relative energies of two isomers of the trimer
J. Chem. Phys. 111, 3846–3854 (1999)
https://doi.org/10.1063/1.479688
Density functional theory study on ethanol dimers and cyclic ethanol trimers
J. Chem. Phys. 111, 3855–3861 (1999)
https://doi.org/10.1063/1.479689
Hydrogen bonding, structure, and dynamics of benzonitrile–water
J. Chem. Phys. 111, 3874–3879 (1999)
https://doi.org/10.1063/1.479690
Photoionization studies of germanium and tin clusters in the energy region of 5.0–8.8 eV: Ionization potentials for and
J. Chem. Phys. 111, 3880–3890 (1999)
https://doi.org/10.1063/1.479691
Fourier transform microwave rotational spectra of the and van der Waals trimers
J. Chem. Phys. 111, 3919–3928 (1999)
https://doi.org/10.1063/1.479695
Photodissociation of hydrogen sulfide at 157.6 nm: Observation of SH bimodal rotational distribution
J. Chem. Phys. 111, 3940–3945 (1999)
https://doi.org/10.1063/1.479736
The reaction of ) and revisited: Recoil velocity analysis of the product
J. Chem. Phys. 111, 3954–3960 (1999)
https://doi.org/10.1063/1.479697
Theoretical study of low-lying electronic states of TiCl and ZrCl
J. Chem. Phys. 111, 3989–3994 (1999)
https://doi.org/10.1063/1.479701
Aqua–potassium(I) complexes: Ab initio study
J. Chem. Phys. 111, 3995–4004 (1999)
https://doi.org/10.1063/1.479702
Photodissociation of at 234 and 265 nm: Evidence of the curve crossing
J. Chem. Phys. 111, 4005–4012 (1999)
https://doi.org/10.1063/1.479182
Spin–orbit effects in quantum mechanical rate constant calculations for the reaction
J. Chem. Phys. 111, 4013–4024 (1999)
https://doi.org/10.1063/1.479703
The reaction of with monomers and clusters and the intracomplex reaction in photo-initiated at 193 and 212.8 nm
J. Chem. Phys. 111, 4025–4031 (1999)
https://doi.org/10.1063/1.479704
Photoelectron spectroscopy of pyridine cluster anions,
J. Chem. Phys. 111, 4041–4050 (1999)
https://doi.org/10.1063/1.480269
New empirical rate expression for reactions without a barrier: Analysis of the reaction of CN with
J. Chem. Phys. 111, 4068–4076 (1999)
https://doi.org/10.1063/1.479183
Resonant two-photon ionization spectroscopy of jet-cooled PdC
J. Chem. Phys. 111, 4077–4086 (1999)
https://doi.org/10.1063/1.479735
Competing reaction pathways from collisions
J. Chem. Phys. 111, 4101–4112 (1999)
https://doi.org/10.1063/1.479708
Photomanipulation of external molecular modes: A time-dependent self-consistent-field approach
J. Chem. Phys. 111, 4113–4120 (1999)
https://doi.org/10.1063/1.479184
Two-dimensional vibrational spectroscopy. I. Theoretical calculation of the nonlinear Raman response function of
J. Chem. Phys. 111, 4121–4130 (1999)
https://doi.org/10.1063/1.479709
CONDENSED PHASE DYNAMICS, STRUCTURE, AND THERMODYNAMICS: SPECTROSCOPY, REACTIONS, AND RELAXATION
Optical Kerr-effect investigation of the reorientational dynamics of in solutions
J. Chem. Phys. 111, 4148–4152 (1999)
https://doi.org/10.1063/1.479712
Two-exciton states and spectroscopy of phenylacetylene dendrimers
J. Chem. Phys. 111, 4158–4168 (1999)
https://doi.org/10.1063/1.479714
Application of hard sphere equations of state to the Weeks–Chandler–Andersen reference system
J. Chem. Phys. 111, 4186–4190 (1999)
https://doi.org/10.1063/1.479716
Reversible diffusion-controlled reactions in a disordered system of static spherical catalysts
J. Chem. Phys. 111, 4205–4217 (1999)
https://doi.org/10.1063/1.479719
Infrared spectra and density functional calculations of the and molecular anions in solid neon
J. Chem. Phys. 111, 4230–4238 (1999)
https://doi.org/10.1063/1.479721
Microscopic solvent structure of subcritical and supercritical methanol from ultraviolet/visible absorption and fluorescence spectroscopies
Dmitry S. Bulgarevich; Takeshi Sako; Tsutomu Sugeta; Katsuto Otake; Yoshihiro Takebayashi; Chiyoshi Kamizawa; Masayuki Uesugi; Masahiro Kato
J. Chem. Phys. 111, 4239–4250 (1999)
https://doi.org/10.1063/1.479722
Transport and spectroscopy of the hydrated proton: A molecular dynamics study
J. Chem. Phys. 111, 4251–4266 (1999)
https://doi.org/10.1063/1.479723
SURFACES, INTERFACES, AND MATERIALS
Transient equations for multiple nucleation on solid electrodes: A stochastic description
J. Chem. Phys. 111, 4267–4272 (1999)
https://doi.org/10.1063/1.479724
Electrostriction in field-structured composites: Basis for a fast artificial muscle?
J. Chem. Phys. 111, 4273–4280 (1999)
https://doi.org/10.1063/1.479725
Condensation pressures in small pores: An analytical model based on density functional theory
J. Chem. Phys. 111, 4281–4290 (1999)
https://doi.org/10.1063/1.479726
Etching effects during the chemical vapor deposition of (100) diamond
C. C. Battaile; D. J. Srolovitz; I. I. Oleinik; D. G. Pettifor; A. P. Sutton; S. J. Harris; J. E. Butler
J. Chem. Phys. 111, 4291–4299 (1999)
https://doi.org/10.1063/1.479727
POLYMERS, BIOPOLYMERS, AND COMPLEX SYSTEMS
Simulation of an asymmetric electrolyte with charge asymmetry 60:1 using hard-sphere and soft-sphere models
J. Chem. Phys. 111, 4300–4309 (1999)
https://doi.org/10.1063/1.479728
Unexpected phase behavior of an asymmetric diblock copolymer
J. Chem. Phys. 111, 4319–4326 (1999)
https://doi.org/10.1063/1.479730
GENERAL CHEMICAL PHYSICS
Nanoscale shock wave spectroscopy: A direct view of coherent ultrafast bath dynamics
J. Chem. Phys. 111, 4343–4350 (1999)
https://doi.org/10.1063/1.479733
NOTES
Effect of reagent rotation in A sensitive probe of the accuracy of the ab initio excited surfaces?
J. Chem. Phys. 111, 4351–4352 (1999)
https://doi.org/10.1063/1.479185
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.