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Issues
15 May 1999
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
Photophysics of collision-free thiophosgene: Confirmation of the role of the promoting mode in radiationless transitions
J. Chem. Phys. 110, 9341–9344 (1999)
https://doi.org/10.1063/1.478899
THEORETICAL METHODS AND ALGORITHMS
Distribution of vibrational potential energy in molecular systems
J. Chem. Phys. 110, 9384–9389 (1999)
https://doi.org/10.1063/1.478903
X-ray and electron scattering intensities of molecules calculated using density functional theory
J. Chem. Phys. 110, 9390–9400 (1999)
https://doi.org/10.1063/1.478904
GAS PHASE DYNAMICS AND STRUCTURE: SPECTROSCOPY, MOLECULAR INTERACTIONS, SCATTERING, AND PHOTOCHEMISTRY
N-chlorodifluoromethanimine, Quadrupole coupling and structure
J. Chem. Phys. 110, 9411–9417 (1999)
https://doi.org/10.1063/1.478905
Broadening of in presence of Stark fields. II. Collisional coupling between the Stark components
J. Chem. Phys. 110, 9418–9425 (1999)
https://doi.org/10.1063/1.478906
Accurate structures and binding energies for small water clusters: The water trimer
J. Chem. Phys. 110, 9435–9442 (1999)
https://doi.org/10.1063/1.478908
Infrared spectra of anion clusters: Spectroscopic evidence for solvent shell closure
J. Chem. Phys. 110, 9443–9449 (1999)
https://doi.org/10.1063/1.478909
Relativistic effects in gold chemistry. VI. Coupled cluster calculations for the isoelectronic series and
J. Chem. Phys. 110, 9457–9462 (1999)
https://doi.org/10.1063/1.478911
The spin-forbidden reaction revisited. II. Nonadiabatic transition state theory and application
J. Chem. Phys. 110, 9469–9482 (1999)
https://doi.org/10.1063/1.478949
The solvation of chloride by methanol—surface versus interior cluster ion states
J. Chem. Phys. 110, 9516–9526 (1999)
https://doi.org/10.1063/1.478916
Theoretical study of the electronic spectrum of p-benzoquinone
J. Chem. Phys. 110, 9536–9546 (1999)
https://doi.org/10.1063/1.478918
Dissociative excitation of HCOOH by single-vacuum ultraviolet and two-ultraviolet photon
J. Chem. Phys. 110, 9547–9554 (1999)
https://doi.org/10.1063/1.478919
Rotation-tunneling spectrum of the deuterated ammonia dimer
J. Chem. Phys. 110, 9555–9559 (1999)
https://doi.org/10.1063/1.478920
Selective generation and control of excited vibrational wave packets in the electronic ground state of
J. Chem. Phys. 110, 9560–9567 (1999)
https://doi.org/10.1063/1.478921
Scalar and angular correlations in photodissociation: statistical and nonstatistical channels
J. Chem. Phys. 110, 9568–9577 (1999)
https://doi.org/10.1063/1.478922
Zero electron kinetic energy spectroscopy of the anion
J. Chem. Phys. 110, 9578–9586 (1999)
https://doi.org/10.1063/1.478923
CONDENSED PHASE DYNAMICS, STRUCTURE, AND THERMODYNAMICS: SPECTROSCOPY, REACTIONS, AND RELAXATION
Body-centered-cubic lattice model with many-body interactions representing the melting transition in Si
J. Chem. Phys. 110, 9608–9617 (1999)
https://doi.org/10.1063/1.478926
Molecular dynamics simulation study of water near critical conditions. I. Structure and solvation free energetics
J. Chem. Phys. 110, 9646–9655 (1999)
https://doi.org/10.1063/1.478929
Molecular dynamics simulation study of water near critical conditions. II. Dynamics and spectroscopy
J. Chem. Phys. 110, 9656–9665 (1999)
https://doi.org/10.1063/1.478952
SURFACES, INTERFACES, AND MATERIALS
Adsorption site and orientation of pyridine on Cu{110} determined by photoelectron diffraction
T. Gießel; O. Schaff; R. Lindsay; P. Baumgärtel; M. Polcik; A. M. Bradshaw; A. Koebbel; T. McCabe; M. Bridge; D. R. Lloyd; D. P. Woodruff
J. Chem. Phys. 110, 9666–9672 (1999)
https://doi.org/10.1063/1.478930
Surface-induced fragmentation of higher fullerenes and endohedral metallofullerenes
J. Chem. Phys. 110, 9681–9687 (1999)
https://doi.org/10.1063/1.478932
POLYMERS, BIOPOLYMERS, AND COMPLEX SYSTEMS
Dielectric response of polymer films confined between mica surfaces
J. Chem. Phys. 110, 9688–9696 (1999)
https://doi.org/10.1063/1.478933
Creep and stress relaxation in a longitudinal polymer liquid crystal: Prediction of the temperature shift factor
J. Chem. Phys. 110, 9706–9712 (1999)
https://doi.org/10.1063/1.478935
A comparative study of existing and new design techniques for protein models
J. Chem. Phys. 110, 9730–9738 (1999)
https://doi.org/10.1063/1.478938
On the role of hydrodynamic interactions in block copolymer microphase separation
J. Chem. Phys. 110, 9739–9749 (1999)
https://doi.org/10.1063/1.478939
Optical origin of efficient and selective isomerization in photoexcited polyenes: An ab initio calculation
J. Chem. Phys. 110, 9765–9768 (1999)
https://doi.org/10.1063/1.478942
NOTES
Direct measurement of the electric polarizability of isolated molecules
J. Chem. Phys. 110, 9771–9772 (1999)
https://doi.org/10.1063/1.478944
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.