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Issues
8 January 1998
ISSN 0021-9606
EISSN 1089-7690
COMMUNICATIONS
Time-resolved fluorescence spectroscopy of high-lying electronic states of Zn-tetraphenylporphyrin
J. Chem. Phys. 108, 385–388 (1998)
https://doi.org/10.1063/1.475398
Total electron-scattering cross sections for and
J. Chem. Phys. 108, 389–391 (1998)
https://doi.org/10.1063/1.475399
SPECTROSCOPY AND LIGHT SCATTERING
Anomalous autoionization lifetimes of Rydberg states in a circularly polarized microwave field
J. Chem. Phys. 108, 402–405 (1998)
https://doi.org/10.1063/1.475401
Rotational analysis and assignment of the 630 nm band system of FeH to the transition
J. Chem. Phys. 108, 428–435 (1998)
https://doi.org/10.1063/1.475404
Vibrational predissociation spectroscopy of the clusters
J. Chem. Phys. 108, 444–449 (1998)
https://doi.org/10.1063/1.475406
Light and neutron scattering studies of the OH stretching band in liquid and supercritical water
J. Chem. Phys. 108, 450–454 (1998)
https://doi.org/10.1063/1.475407
Temperature effect up to 1100 K on the excimer luminescence using two-photon excitation
J. Chem. Phys. 108, 480–484 (1998)
https://doi.org/10.1063/1.475410
MOLECULAR INTERACTIONS AND REACTIONS, SCATTERING, PHOTOCHEMISTRY
Vibrational energy transfer between the isotopomers of carbon monoxide at low temperatures
J. Chem. Phys. 108, 485–491 (1998)
https://doi.org/10.1063/1.475411
“Spectator” modes in resonance-driven reactions: Three-dimensional quantum calculations of HOCO resonances
J. Chem. Phys. 108, 511–518 (1998)
https://doi.org/10.1063/1.475414
Near threshold photodissociation of acetylene
David H. Mordaunt; Michael N. R. Ashfold; Richard N. Dixon; Peter Löffler; Ludger Schnieder; Karl H. Welge
J. Chem. Phys. 108, 519–526 (1998)
https://doi.org/10.1063/1.475415
Penning ionization of the molecule by Ne* metastable atom
J. Chem. Phys. 108, 550–555 (1998)
https://doi.org/10.1063/1.475418
The ultrafast photochemical ring-opening reaction of 1,3-cyclohexadiene in cyclohexane
J. Chem. Phys. 108, 556–563 (1998)
https://doi.org/10.1063/1.476366
Molecular potential energy surfaces by interpolation in Cartesian coordinates
J. Chem. Phys. 108, 564–578 (1998)
https://doi.org/10.1063/1.475419
QUANTUM CHEMISTRY, THEORETICAL ELECTRONIC AND MOLECULAR STRUCTURE
Fitting potential-energy surfaces: A search in the function space by directed genetic programming
J. Chem. Phys. 108, 590–598 (1998)
https://doi.org/10.1063/1.475421
A tensor formulation of many-electron theory in a nonorthogonal single-particle basis
J. Chem. Phys. 108, 616–625 (1998)
https://doi.org/10.1063/1.475423
Reduced multireference couple cluster method. II. Application to potential energy surfaces of HF, , and O
J. Chem. Phys. 108, 637–648 (1998)
https://doi.org/10.1063/1.475425
A purely ab initio spectroscopic quality quartic force field for acetylene
J. Chem. Phys. 108, 676–691 (1998)
https://doi.org/10.1063/1.475429
Assessment of complete basis set methods for calculation of enthalpies of formation
J. Chem. Phys. 108, 692–697 (1998)
https://doi.org/10.1063/1.475442
STATISTICAL MECHANICS AND THERMODYNAMICS
Chain relations of reduced distribution functions and their associated correlation functions
J. Chem. Phys. 108, 706–714 (1998)
https://doi.org/10.1063/1.475430
Perfect families of mixed crystals: The rotator I -alkane case
J. Chem. Phys. 108, 715–722 (1998)
https://doi.org/10.1063/1.475431
Energy transfer processes in organized media. III. A two-center model for nonhomogeneous crystals
J. Chem. Phys. 108, 723–728 (1998)
https://doi.org/10.1063/1.475432
POLYMERS, SURFACES, AND GENERAL CHEMICAL PHYSICS
Folding and misfolding of designed proteinlike chains with mutations
J. Chem. Phys. 108, 757–761 (1998)
https://doi.org/10.1063/1.475435
Electronic properties of Cs+CO coadsorbed on the Ru(0001) surface
S. Fichtner-Endruschat; V. De Renzi; A. Morgante; S. Schwegmann; H. Bludau; R. Schuster; A. Böttcher; H. Over
J. Chem. Phys. 108, 774–799 (1998)
https://doi.org/10.1063/1.475437
A molecular-thermodynamic model for polyelectrolyte solutions
J. Chem. Phys. 108, 780–784 (1998)
https://doi.org/10.1063/1.475438
The effect of a solid wall on polymer chain behavior under shear flow
J. Chem. Phys. 108, 797–806 (1998)
https://doi.org/10.1063/1.475440
Dynamic properties of heterogeneous surface films: Multiple scattering of capillary waves
J. Chem. Phys. 108, 807–815 (1998)
https://doi.org/10.1063/1.475444
NOTES
Ionization energy and electron affinity of small alkali-metal clusters
J. Chem. Phys. 108, 816–817 (1998)
https://doi.org/10.1063/1.475500
Transfer of chloroform across the water–carbon tetrachloride liquid–liquid interface
J. Chem. Phys. 108, 818–819 (1998)
https://doi.org/10.1063/1.475441
COMMENTS
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.
Dielectric profile at the Pt(111)/water interface
Jia-Xin Zhu, Jun Cheng, et al.