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Issues
15 March 1969
ISSN 0021-9606
EISSN 1089-7690
In this Issue
Examination of the Adequacy of the 12–6 Potential for Liquid Argon by Means of Monte Carlo Calculations
J. Chem. Phys. 50, 2308–2315 (1969)
https://doi.org/10.1063/1.1671381
Computed Probability Density Functions of the Radii of Gyration of Long Random‐Flight Chains
J. Chem. Phys. 50, 2316–2324 (1969)
https://doi.org/10.1063/1.1671382
Comparison of Continuum and Discrete Lattice Results for Gas–Surface Interactions
J. Chem. Phys. 50, 2364–2371 (1969)
https://doi.org/10.1063/1.1671389
Spectral Study of NO2 Fluorescence Excited by 11 Lines of Argon and Krypton Ion Lasers
J. Chem. Phys. 50, 2404–2410 (1969)
https://doi.org/10.1063/1.1671395
Magnetic‐Susceptibility Anisotropy, Molecular Value, and Molecular Quadrupole Moment of 15N15N16O
J. Chem. Phys. 50, 2414–2416 (1969)
https://doi.org/10.1063/1.1671397
Experimental Verification of the Dusty‐Gas Theory for Thermal Transpiration through Porous Media
J. Chem. Phys. 50, 2417–2428 (1969)
https://doi.org/10.1063/1.1671398
Ring Puckering in Five‐Membered Rings. I. General Theory
David O. Harris; Gail G. Engerholm; Chadwick A. Tolman; Alan C. Luntz; Richard A. Keller; Hyunyong Kim; W. D. Gwinn
J. Chem. Phys. 50, 2438–2445 (1969)
https://doi.org/10.1063/1.1671400
Approximate Analytical Solutions of the Thomas–Fermi–Dirac and Thomas–Fermi–Dirac–Gombás Equations
J. Chem. Phys. 50, 2476–2485 (1969)
https://doi.org/10.1063/1.1671405
Rotation–Translation Levels of a Tetrahedral Molecule in an Octahedral Cell
J. Chem. Phys. 50, 2496–2501 (1969)
https://doi.org/10.1063/1.1671407
Vibrational Spectra of Group IIB Halides. II. The Halides of Cadmium and Mercury
J. Chem. Phys. 50, 2502–2512 (1969)
https://doi.org/10.1063/1.1671408
Intensity and Polarization of Light Scattered by Some Permanent Gases and Vapors
J. Chem. Phys. 50, 2526–2535 (1969)
https://doi.org/10.1063/1.1671411
Analyses of the Vibration–Rotation Bands of HCF3, PF5, and Cyclo‐C3H6 by Computer Techniques
J. Chem. Phys. 50, 2552–2558 (1969)
https://doi.org/10.1063/1.1671414
Dielectric Properties of Slightly Polar Organic Liquids as a Function of Pressure, Volume, and Temperature
J. Chem. Phys. 50, 2559–2569 (1969)
https://doi.org/10.1063/1.1671415
Dissociation of Carbon Dioxide in the Positive Column of a Glow Discharge
J. Chem. Phys. 50, 2570–2574 (1969)
https://doi.org/10.1063/1.1671416
Mössbauer‐Effect Study of Nitrosyliron Bis(N, N‐diethyldithiocarbamate)
J. Chem. Phys. 50, 2594–2597 (1969)
https://doi.org/10.1063/1.1671420
Dissociation Constants of Excited Phenols from Fluorescence Quenching Data
J. Chem. Phys. 50, 2614–2617 (1969)
https://doi.org/10.1063/1.1671423
ESR Study of Interconversion in Substituted Piperidine Iminoxyls
J. Chem. Phys. 50, 2630–2641 (1969)
https://doi.org/10.1063/1.1671425
Relationship between the Experimental Hamiltonian and the Point Symmetry of a Paramagnetic Species in a Crystal
J. Chem. Phys. 50, 2672–2685 (1969)
https://doi.org/10.1063/1.1671429
Transport in Molten Salts under Pressure. I. Glass‐Forming Nitrate Melts
J. Chem. Phys. 50, 2694–2705 (1969)
https://doi.org/10.1063/1.1671431
Cotton–Mouton Effect through an Absorption Band
J. Chem. Phys. 50, 2716–2718 (1969)
https://doi.org/10.1063/1.1671433
Gas‐Phase Electron Resonance Spectra of SF and SeF
J. Chem. Phys. 50, 2726–2732 (1969)
https://doi.org/10.1063/1.1671436
Thermal Effects on the Fluorescence Lines of Sm2+ in Crystals
J. Chem. Phys. 50, 2750–2754 (1969)
https://doi.org/10.1063/1.1671440
Improved Equation for Lower Bounds to Eigenvalues; Bounds for the Second‐Order Perturbation Energy
J. Chem. Phys. 50, 2758–2762 (1969)
https://doi.org/10.1063/1.1671442
COMMUNICATIONS
NOTES
Direct Calculation of Natural Orbitals by Many‐Body Perturbation Theory: Application to Helium
J. Chem. Phys. 50, 2767–2768 (1969)
https://doi.org/10.1063/1.1671446
Competitive Unimolecular Decomposition of Alkyl Radicals. Neopentyl Rupture
J. Chem. Phys. 50, 2769–2770 (1969)
https://doi.org/10.1063/1.1671447
Scattering of High‐Energy Atomic Beams: The Determination of Atom–Molecule Potential‐Energy Functions
J. Chem. Phys. 50, 2773–2774 (1969)
https://doi.org/10.1063/1.1671451
Initial Rotational Distribution of OH*(2Σ+) Produced by Kr‐Photosensitized Decomposition of Water
J. Chem. Phys. 50, 2775–2776 (1969)
https://doi.org/10.1063/1.1671453
COMMENTS
ERRATA
Erratum: Nuclear Magnetic Resonance of the Solid Phases of HCl, HBr, and HI
J. Chem. Phys. 50, 2786 (1969)
https://doi.org/10.1063/1.1671464
The Amsterdam Modeling Suite
Evert Jan Baerends, Nestor F. Aguirre, et al.
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.