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Issues
1 September 1968
ISSN 0021-9606
EISSN 1089-7690
In this Issue
Use of Green Functions in Atomic and Molecular Calculations. II. The Green Function of the Helium Atom
J. Chem. Phys. 49, 2002–2008 (1968)
https://doi.org/10.1063/1.1670360
Modified Perturbation Theory for Atoms and Molecules Based on a Hartree–Fock
J. Chem. Phys. 49, 2026–2030 (1968)
https://doi.org/10.1063/1.1670363
Approximate Hartree–Fock Wavefunctions, One‐Electron Properties, and Electronic Structure of the Water Molecule
J. Chem. Phys. 49, 2071–2080 (1968)
https://doi.org/10.1063/1.1670368
Nuclear Corrections to Electronic Expectation Values: Zero‐Point Vibrational Effects in the Water Molecule
J. Chem. Phys. 49, 2081–2091 (1968)
https://doi.org/10.1063/1.1670369
Spectroscopy and Mechanisms of the Photo‐ and Thermal Reactions of Photochromic Anils
J. Chem. Phys. 49, 2092–2101 (1968)
https://doi.org/10.1063/1.1670370
Infrared and Raman Investigation of Condensed Phases of Methylamine and Its Deuterium Derivatives
J. Chem. Phys. 49, 2106–2117 (1968)
https://doi.org/10.1063/1.1670372
Radiolysis of Liquids at High Pressures. VI. Hydrogen‐Atom Reactions in Aqueous H2SO4 Solutions
J. Chem. Phys. 49, 2153–2157 (1968)
https://doi.org/10.1063/1.1670379
Molecular Orbital Theory of Electric Polarizabilities and Magnetic Susceptibilities of Hydrocarbons
J. Chem. Phys. 49, 2158–2166 (1968)
https://doi.org/10.1063/1.1670380
Influence of the Host Lattice upon the EPR Coupling Parameters of Copper‐8‐hydroxyquinolinate
J. Chem. Phys. 49, 2210–2217 (1968)
https://doi.org/10.1063/1.1670386
SCF‐MO's and Molecular Properties of Methane
J. Chem. Phys. 49, 2224–2229 (1968)
https://doi.org/10.1063/1.1670388
Mass Spectrometry of the Vapors over PbCl2 + ACl Mixtures (A = Na, K, Rb, or Cs). II. Electron‐Impact Studies
J. Chem. Phys. 49, 2230–2236 (1968)
https://doi.org/10.1063/1.1670389
Paramagnetic Resonance Spectra of O− Trapped in Alkali Iodide Crystals
J. Chem. Phys. 49, 2237–2240 (1968)
https://doi.org/10.1063/1.1670390
Ab Initio SCF MO and CI Calculations on the Electronic Spectrum of Benzene
J. Chem. Phys. 49, 2261–2267 (1968)
https://doi.org/10.1063/1.1670394
Discontinuities in Some Thermodynamic Quantities at the Critical Point of an Analytical Fluid
J. Chem. Phys. 49, 2279–2282 (1968)
https://doi.org/10.1063/1.1670397
Spin Rotation Constant and Rotational Magnetic Moment of 13C16O
J. Chem. Phys. 49, 2314–2321 (1968)
https://doi.org/10.1063/1.1670402
External Field Dependence of Transport Properties. I. Thermal Conduction in a Fluid of Rough Spheres
J. Chem. Phys. 49, 2321–2333 (1968)
https://doi.org/10.1063/1.1670403
Low‐Frequency Motions in Liquid Carbon Tetrachloride. II. The Raman Spectrum
J. Chem. Phys. 49, 2334–2338 (1968)
https://doi.org/10.1063/1.1670404
New Measurements of the Raman and the Far‐Infrared Spectrum of S2Br2
J. Chem. Phys. 49, 2344–2346 (1968)
https://doi.org/10.1063/1.1670406
Microwave Spectrum, Structure, and Dipole Moment of Cyclohexene
J. Chem. Phys. 49, 2368–2372 (1968)
https://doi.org/10.1063/1.1670409
Electron Impact Spectra of Ethane and Other Saturated Hydrocarbons
J. Chem. Phys. 49, 2382–2395 (1968)
https://doi.org/10.1063/1.1670411
Effect of cis–trans Isomerism on the Carbon‐13 Chemical Shifts of Some Unsymmetrically Substituted Ethylenes
J. Chem. Phys. 49, 2395–2404 (1968)
https://doi.org/10.1063/1.1670412
Rotational Spectra of Substituted Diazirines. I. Dimethyldiazirine
J. Chem. Phys. 49, 2405–2410 (1968)
https://doi.org/10.1063/1.1670413
Correlation Energy in Atomic Systems. V. Degeneracy Effects for the Second‐Row Atoms
J. Chem. Phys. 49, 2415–2421 (1968)
https://doi.org/10.1063/1.1670415
Heat Capacity of Tetrauranium Enneaoxide (U4O9) from 1.6° to 24°K. The Magnetic Contribution to the Entropy
J. Chem. Phys. 49, 2438–2442 (1968)
https://doi.org/10.1063/1.1670420
Effects of Molecular Reorientation in Solid Methane on the Quasielastic Scattering of Thermal Neutrons
J. Chem. Phys. 49, 2443–2445 (1968)
https://doi.org/10.1063/1.1670421
COMMUNICATIONS
Molecular‐Beam Kinetics: Evidence for Short‐Range Attraction in Halogen Atom–Molecule Exchange Reactions
J. Chem. Phys. 49, 2447–2448 (1968)
https://doi.org/10.1063/1.1670423
Ligand ENDOR of Cu‐8‐hydroxyquin‐olinate Substituted into a Single Crystal and a Powder of Phthalimide
J. Chem. Phys. 49, 2449–2451 (1968)
https://doi.org/10.1063/1.1670425
NOTES
Some Total Electron‐Capture Cross Sections for H2+ and H3+ Impact on Ne, and H3+ on Ar
J. Chem. Phys. 49, 2459–2460 (1968)
https://doi.org/10.1063/1.1670432
Temperature Dependence of the Nuclear Quadrupole Resonance Frequency of 79Br in NaBrO3 and KBrO3
J. Chem. Phys. 49, 2464–2466 (1968)
https://doi.org/10.1063/1.1670436
COMMENTS
ERRATA
Erratum: Shock‐Tube Study of Nitrogen Dissociation Using Vacuum‐Ultraviolet Light Absorption
J. Chem. Phys. 49, 2468 (1968)
https://doi.org/10.1063/1.1670439
Erratum: Two‐Photon Laser Excitation of Polycyclic Aromatic Molecules
J. Chem. Phys. 49, 2468 (1968)
https://doi.org/10.1063/1.1670440
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.