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Electron drift and diffusion in polyatomic gases: Calculations for CH4, CD4, and related models
J. Chem. Phys. 68, 2999–3006 (1978)
https://doi.org/10.1063/1.436165
The effects of basis set and configuration interaction on the predicted geometries of AH2 molecules
J. Chem. Phys. 68, 3014–3024 (1978)
https://doi.org/10.1063/1.436167
Pressure dependence of the reaction of He2(3Σ) metastable molecules with Ar
J. Chem. Phys. 68, 3025–3027 (1978)
https://doi.org/10.1063/1.436168
A classical trajectory study of collisional energy transfer in thermal unimolecular reactions
J. Chem. Phys. 68, 3028–3039 (1978)
https://doi.org/10.1063/1.436169
The effect of spin delocalization on the proton magnetic relaxation in transition metal hexaaquo ions
J. Chem. Phys. 68, 3074–3077 (1978)
https://doi.org/10.1063/1.436120
Pressure and temperature dependence of molecular motion in organic plastic crystals
J. Chem. Phys. 68, 3078–3088 (1978)
https://doi.org/10.1063/1.436174
Effect of centrifuging on fluctuations in the critical liquid–liquid region
J. Chem. Phys. 68, 3099–3102 (1978)
https://doi.org/10.1063/1.436150
ESR investigations of VO2+ doped ferroelectric tris sarcosine calcium chloride
J. Chem. Phys. 68, 3122–3124 (1978)
https://doi.org/10.1063/1.436153
Substituent effects in benzene cation spectroscopy. II. Photodissociation spectra of methylbenzene ions
J. Chem. Phys. 68, 3133–3138 (1978)
https://doi.org/10.1063/1.436155
On the application, breakdown, and near‐dissociation behavior of the higher‐order JWKB quantization condition
J. Chem. Phys. 68, 3139–3148 (1978)
https://doi.org/10.1063/1.436156
Vapor pressure isotope effects in the benzene (B)–cyclohexane (C) system from 5 to 80 °C. I. The pure liquids B‐d,B‐d1,ortho‐,meta‐, and para‐B‐d2, B‐d6,C‐d, and C‐d12. II. Excess free energies and isotope effects on excess free energies in the solutions B‐h6/B‐d6, C‐h12/C‐d12, B‐h6/C‐h12, B‐d6/C‐h12, and B‐h6/C‐d12
J. Chem. Phys. 68, 3177–3190 (1978)
https://doi.org/10.1063/1.436163
Vapor pressure isotope effects in benzene–cyclohexane systems. III. Theoretical analysis
J. Chem. Phys. 68, 3191–3202 (1978)
https://doi.org/10.1063/1.436164
Hindered rotational energy levels of a linear ion in octahedral and tetrahedral cystalline fields
J. Chem. Phys. 68, 3222–3225 (1978)
https://doi.org/10.1063/1.436123
The effect of magnetic field on the heat conductivity of O2–N2 and O2–H2 gas mixtures
J. Chem. Phys. 68, 3226–3230 (1978)
https://doi.org/10.1063/1.436124
On the theory of unimolecular reactions: Application of mean first passage time to reaction rates
J. Chem. Phys. 68, 3244–3253 (1978)
https://doi.org/10.1063/1.436128
Carbon‐13 vapor pressure isotope effect in CHF3
J. Chem. Phys. 68, 3279–3285 (1978)
https://doi.org/10.1063/1.436133
Semiclassical description of electron spin motion in radicals including the effect of electron hopping
J. Chem. Phys. 68, 3292–3297 (1978)
https://doi.org/10.1063/1.436135
Temperature dependence of the quenching of Br(4 2P1/2) by CO2 and HCl with accompanying vibrational excitation
J. Chem. Phys. 68, 3308–3309 (1978)
https://doi.org/10.1063/1.436137
Equilibrium electron‐transfer reactions in the gas phase involving long‐lived negative ion radicals
J. Chem. Phys. 68, 3309–3311 (1978)
https://doi.org/10.1063/1.436138
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.