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Issues
1 May 1970
ISSN 0021-9606
EISSN 1089-7690
In this Issue
Kinetics for Free‐Radical Conversion Processes in Irradiated d,l‐Valine
J. Chem. Phys. 52, 4324–4328 (1970)
https://doi.org/10.1063/1.1673653
Evolution of Reduced Distribution Functions. IV. Momentum Moments of the One‐Body Function
J. Chem. Phys. 52, 4345–4354 (1970)
https://doi.org/10.1063/1.1673656
Evolution of Reduced Distribution Functions. V. Binary Diffusion in a Hard‐Sphere Fluid
J. Chem. Phys. 52, 4355–4362 (1970)
https://doi.org/10.1063/1.1673657
Level Crossing and Double Resonance on the State of CS
J. Chem. Phys. 52, 4385–4399 (1970)
https://doi.org/10.1063/1.1673661
Viscosities of Solutions of Potassium in Liquid Ammonia and Deuteroammonia
J. Chem. Phys. 52, 4400–4403 (1970)
https://doi.org/10.1063/1.1673662
Applications of Variational‐Perturbation Theory to Molecules. I. The Water Molecule
J. Chem. Phys. 52, 4407–4409 (1970)
https://doi.org/10.1063/1.1673664
Electron Attachment in the Field of the Ground and Excited Electronic States of the Azulene Molecule
J. Chem. Phys. 52, 4413–4417 (1970)
https://doi.org/10.1063/1.1673666
Dioxygen Difluoride: Infrared Spectrum, Vibrational Potential Function, and Bonding
J. Chem. Phys. 52, 4418–4423 (1970)
https://doi.org/10.1063/1.1673667
Comparisons of the Reflection and Diffraction of 3He, 4He, H2, and D2 from the (001) Surface of LiF
J. Chem. Phys. 52, 4447–4458 (1970)
https://doi.org/10.1063/1.1673671
Electron Scattering by H2 with and without Vibrational Excitation. I. Quantum‐Mechanical Theory
J. Chem. Phys. 52, 4480–4501 (1970)
https://doi.org/10.1063/1.1673677
Evaluation of Data on Cryoscopic and Ebullioscopic Measurements of Dissociation Constants of 1:1 Electrolytes
J. Chem. Phys. 52, 4550–4553 (1970)
https://doi.org/10.1063/1.1673682
Reactions of Metal Atoms. III. The Combination of Mercury and Iodine Atoms and the Spectrum of HgI
J. Chem. Phys. 52, 4569–4571 (1970)
https://doi.org/10.1063/1.1673687
Molecular Dynamics of Photodissociation: Quasidiatomic Model for ICN
J. Chem. Phys. 52, 4588–4599 (1970)
https://doi.org/10.1063/1.1673690
Volumetric Properties of Molten and Crystalline Alkali Fluoroborates
J. Chem. Phys. 52, 4600–4604 (1970)
https://doi.org/10.1063/1.1673691
Paramagnetic Relaxation of Silver Species in γ‐Irradiated Frozen Aqueous Solutions
J. Chem. Phys. 52, 4644–4653 (1970)
https://doi.org/10.1063/1.1673697
Distribution of Reaction Products. VI. Hot‐Atom Reactions, T + HR
J. Chem. Phys. 52, 4654–4674 (1970)
https://doi.org/10.1063/1.1673698
Widths of Rotational Lines of an Asymmetric‐Top Molecule SO2. II. Broadening by a Quadrupolar Gas
J. Chem. Phys. 52, 4674–4677 (1970)
https://doi.org/10.1063/1.1673699
Electronic Structure and Low‐Lying Triplet States of CaO
J. Chem. Phys. 52, 4678–4691 (1970)
https://doi.org/10.1063/1.1673700
Exchange Reaction of 18O Atoms with CO2 and with SO2 in Shock Waves
J. Chem. Phys. 52, 4692–4698 (1970)
https://doi.org/10.1063/1.1673701
Calculation of Ground State Vibrational Structure and Phonons of the Isotopic Benzene Crystals
J. Chem. Phys. 52, 4701–4716 (1970)
https://doi.org/10.1063/1.1673703
Semiempirical Calculations of Some 2H and 14N Nuclear Quadrupole Coupling Constants
J. Chem. Phys. 52, 4717–4723 (1970)
https://doi.org/10.1063/1.1673704
Calculation of the Intramolecular Contribution to the Entropy of Fusion in Crystalline Polymers
J. Chem. Phys. 52, 4749–4751 (1970)
https://doi.org/10.1063/1.1673707
External Field Dependence of Transport Properties. II. Thermal Conduction in a Fluid of Loaded Spherocylinders
J. Chem. Phys. 52, 4752–4761 (1970)
https://doi.org/10.1063/1.1673708
Linewidths in High‐Resolution NMR Spectra. Homogeneous Broadening Due to the Intramolecular Dipolar Relaxation
J. Chem. Phys. 52, 4818–4825 (1970)
https://doi.org/10.1063/1.1673717
Refinement of a Valence Force Field for Polytetrafluoroethylene by a Damped Least‐Squares Method
J. Chem. Phys. 52, 4826–4829 (1970)
https://doi.org/10.1063/1.1673718
Theory of Molecular Interactions. I. Molecular Orbital Studies of Water Polymers Using a Minimal Slater‐Type Basis
J. Chem. Phys. 52, 4858–4866 (1970)
https://doi.org/10.1063/1.1673723
Ionization and Metastable Excitation in Low‐Energy Collisions of Ground‐State Argon Atoms
J. Chem. Phys. 52, 4874–4877 (1970)
https://doi.org/10.1063/1.1673725
Adsorption and Decomposition of Ammonia on a Polycrystalline Tungsten Filament
J. Chem. Phys. 52, 4877–4889 (1970)
https://doi.org/10.1063/1.1673726
COMMUNICATIONS
NOTES
Empirical Correction to Hartree–Fock–Slater S‐Electron Densities for Calculation of Contact Hyperfine Splittings
J. Chem. Phys. 52, 4914–4915 (1970)
https://doi.org/10.1063/1.1673738
COMMENTS
ERRATA
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.