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ESR studies of Ba(ClO4)2⋅3H2O and Ba(ClO4)2⋅3D2O single crystals γ irradiated at 77 K
J. Chem. Phys. 79, 541–547 (1983)
https://doi.org/10.1063/1.445855
Emission and one‐ and two‐photon excitation spectra of the 1 1Ag–2 1Ag origin region of cis–cis octatetraene
J. Chem. Phys. 79, 583–586 (1983)
https://doi.org/10.1063/1.445858
Two‐photon Ã←X̃ spectra of benzonitrile and styrene vapors: Tests of perturbation rules
J. Chem. Phys. 79, 593–602 (1983)
https://doi.org/10.1063/1.445806
The rotational Zeeman effect in the OCO–HF, OCO–DF, OCO–HCl, and SCO–HF complexes
J. Chem. Phys. 79, 614–625 (1983)
https://doi.org/10.1063/1.445808
Far‐infrared laser magnetic resonance detection and microwave spectroscopy of the PO radical
J. Chem. Phys. 79, 629–634 (1983)
https://doi.org/10.1063/1.445810
Geometric model of trapped electrons in x‐ray irradiated single crystals of rhamnose
J. Chem. Phys. 79, 635–638 (1983)
https://doi.org/10.1063/1.445811
Trajectory studies of hot atom reactions. III. On the information content of recoil experiments
J. Chem. Phys. 79, 671–685 (1983)
https://doi.org/10.1063/1.445816
Derived sensitivity densities in chemical kinetics: A new computational approach with applications
J. Chem. Phys. 79, 692–707 (1983)
https://doi.org/10.1063/1.445818
A CARS investigation of HBr and H2 collisions with hot H atoms produced by ArF laser photolysis of HBr
J. Chem. Phys. 79, 759–764 (1983)
https://doi.org/10.1063/1.445826
Photoionization studies of Na2Cl and Na2O and reactions of metal clusters
J. Chem. Phys. 79, 777–783 (1983)
https://doi.org/10.1063/1.445828
Reactivity and structure of NO+2 produced by the N+3+O2 reaction
J. Chem. Phys. 79, 825–830 (1983)
https://doi.org/10.1063/1.445831
Correlated effective valence shell Hamiltonian for the first‐row transition metal atoms
J. Chem. Phys. 79, 839–851 (1983)
https://doi.org/10.1063/1.445860
Nuclear–nuclear potential energy related to total number of electrons in light molecules
J. Chem. Phys. 79, 870–872 (1983)
https://doi.org/10.1063/1.445863
Polarization propagator approach to the dynamic nuclear electric shielding in LiH molecule
J. Chem. Phys. 79, 889–893 (1983)
https://doi.org/10.1063/1.445865
Molecular properties from MCSCF‐SCEP wave functions. I. Accurate dipole moment functions of OH, OH−, and OH+
J. Chem. Phys. 79, 905–916 (1983)
https://doi.org/10.1063/1.445867
A molecular dynamics simulation of rotational and vibrational relaxation in liquid HCl
J. Chem. Phys. 79, 917–925 (1983)
https://doi.org/10.1063/1.445868
Comparison of simple potential functions for simulating liquid water
In Special Collection:
JCP 90 for 90 Anniversary Collection
J. Chem. Phys. 79, 926–935 (1983)
https://doi.org/10.1063/1.445869
Kinetic models for stilbene photoisomerization: Comparison of theory and experiments
J. Chem. Phys. 79, 944–952 (1983)
https://doi.org/10.1063/1.445872
A statistical mechanical theory of the self‐diffusion coefficient of simple ions in electrolyte solutions
J. Chem. Phys. 79, 957–963 (1983)
https://doi.org/10.1063/1.445874
Tetramethyldithiadiselenafulvalene (TMDTDSF): Properties of its hexafluorophosphate salt and alloys with tetramethyltetraselenafulvalene
F. Wudl; W. M. Walsh, Jr.; J. J. Hauser; F. J. DiSalvo; D. Nalewajek; L. W. Rupp, Jr.; J. V. Waszczak; R. J. Felder; T. O. Poehler; P. M. Chaikin; R. Lacoe
J. Chem. Phys. 79, 1004–1012 (1983)
https://doi.org/10.1063/1.445841
Infrared spectroscopic investigation of the rhodium gem‐dicarbonyl surface species
J. Chem. Phys. 79, 1026–1030 (1983)
https://doi.org/10.1063/1.445844
Comparison between the convergence of perturbation expansions in one‐dimensional square and triangle‐well fluids
J. Chem. Phys. 79, 1092–1093 (1983)
https://doi.org/10.1063/1.445837
Laser‐induced fluorescence spectrum of the CCN radical. II. Excitation of A 2Δi:(010)Π–X 2Πr:(010)Σ− vibronic band
J. Chem. Phys. 79, 1094–1095 (1983)
https://doi.org/10.1063/1.445839
Dissociation of CO2+2 ions into CO+ and O+ fragments
J. Chem. Phys. 79, 1099–1100 (1983)
https://doi.org/10.1063/1.445850
Comment on ‘‘Configuration interaction studies on low‐lying valence and Rydberg states of PO’’
J. Chem. Phys. 79, 1102 (1983)
https://doi.org/10.1063/1.445852
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.