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Emission spectra of CF3 radicals. II. Analysis of the UV emission spectrum of CF3 radicals
J. Chem. Phys. 78, 1012–1018 (1983)
https://doi.org/10.1063/1.444900
Calculation of the frequencies and intensities in the infrared spectrum of the ethyl radical
J. Chem. Phys. 78, 1033–1038 (1983)
https://doi.org/10.1063/1.444903
Nonlinear noise analysis in nuclear magnetic resonance spectroscopy. 1D, 2D, and 3D spectra
J. Chem. Phys. 78, 1059–1076 (1983)
https://doi.org/10.1063/1.444889
Electronic structure and photoionization cross sections of Li2, Na2, and K2
J. Chem. Phys. 78, 1095–1103 (1983)
https://doi.org/10.1063/1.444892
NMR study of molecular motions in perisubstituted naphthalenes
Fumio Imashiro; Kiyonori Takegoshi; Sachiko Okazawa; Jun Furukawa; Takehiko Terao; A. Saika; Asako Kawamori
J. Chem. Phys. 78, 1104–1111 (1983)
https://doi.org/10.1063/1.444893
Brillouin scattering study of elastic properties in a glass forming KNO3–Ca(NO3)2 mixture
J. Chem. Phys. 78, 1121–1125 (1983)
https://doi.org/10.1063/1.444896
Laser induced fluorescence spectra of the a 3Πu–X 1Σ+g band of Na2 by molecular beam
J. Chem. Phys. 78, 1126–1131 (1983)
https://doi.org/10.1063/1.444897
Highly excited states of nitric oxide studied by two‐color double resonance spectroscopy
J. Chem. Phys. 78, 1132–1139 (1983)
https://doi.org/10.1063/1.444898
Competition between isomerization and fragmentation of gaseous ions. II. Nitromethane and methylnitrite ions
J. Chem. Phys. 78, 1174–1179 (1983)
https://doi.org/10.1063/1.444909
Photodissociation of HCHO in air: CO and H2 quantum yields at 220 and 300 K
J. Chem. Phys. 78, 1185–1190 (1983)
https://doi.org/10.1063/1.444911
Study of CS2 in the 3–10 eV energy range by electron energy loss spectroscopy
J. Chem. Phys. 78, 1200–1212 (1983)
https://doi.org/10.1063/1.444913
Electron scattering by methane: Elastic scattering and rotational excitation cross sections calculated with ab initio interaction potentials
Najib Abusalbi; Robert A. Eades; Tonny Nam; Devarajan Thirumalai; David A. Dixon; Donald G. Truhlar; Michel Dupuis
J. Chem. Phys. 78, 1213–1227 (1983)
https://doi.org/10.1063/1.444914
A test of the semiclassical energy conserving trajectory technique for low energy electron transfer reactions
J. Chem. Phys. 78, 1237–1245 (1983)
https://doi.org/10.1063/1.444915
Electron diffraction studies of supersonic jets. III. Clusters of n‐butane
J. Chem. Phys. 78, 1265–1269 (1983)
https://doi.org/10.1063/1.444863
Electron diffraction studies of supersonic jets. IV. Conformational cooling of n‐butane
J. Chem. Phys. 78, 1270–1274 (1983)
https://doi.org/10.1063/1.444864
13C and 18O isotope enrichment by vibrational energy exchange pumping of CO
J. Chem. Phys. 78, 1281–1292 (1983)
https://doi.org/10.1063/1.444866
Periodic precipitation and coarsening waves: Applications of the competitive particle growth modela)
J. Chem. Phys. 78, 1293–1311 (1983)
https://doi.org/10.1063/1.444867
Product vibrational state distributions in thermal energy associative detachment reactions: F−+H,D → HF(v), DF(v)+e−
J. Chem. Phys. 78, 1325–1334 (1983)
https://doi.org/10.1063/1.444870
Energetics, wave functions, and spectroscopy of coupled anharmonic oscillators
J. Chem. Phys. 78, 1348–1358 (1983)
https://doi.org/10.1063/1.444874
Multimode Jahn–Teller and pseudo‐Jahn–Teller effects in BF+3
J. Chem. Phys. 78, 1359–1370 (1983)
https://doi.org/10.1063/1.444875
Theoretical study of AlH+: Spin splitting, core polarization, and interstellar chemistry
J. Chem. Phys. 78, 1371–1376 (1983)
https://doi.org/10.1063/1.444876
Dipole interaction of an unequally spaced multilevel atom with a monochromatic electromagnetic field
J. Chem. Phys. 78, 1377–1381 (1983)
https://doi.org/10.1063/1.444877
Equivalence of ionization potential and magnitude of chemical potential in Hartree–Fock theory of atoms
J. Chem. Phys. 78, 1382–1383 (1983)
https://doi.org/10.1063/1.444878
A theoretical study of the lowest singlet and triplet surfaces of C2H2S
J. Chem. Phys. 78, 1384–1389 (1983)
https://doi.org/10.1063/1.444879
The convergence of the cluster model for the study of chemisorption: Be36H
J. Chem. Phys. 78, 1390–1395 (1983)
https://doi.org/10.1063/1.444880
Structure of a binary mixture under shear: Non‐Newtonian effects from computer simulation
J. Chem. Phys. 78, 1440–1446 (1983)
https://doi.org/10.1063/1.444886
Magnetic properties and electronic structure of high spin iron(III) porphyrins
J. Chem. Phys. 78, 1453–1458 (1983)
https://doi.org/10.1063/1.444888
The determination of the elastic constants of a series of n‐alkylcyanobiphenyls by anisotropy of turbidity
J. Chem. Phys. 78, 1513–1518 (1983)
https://doi.org/10.1063/1.444840
Application of time‐resolved luminescence in the study of lipid aggregate symmetry. I. Theoretical discussion
J. Chem. Phys. 78, 1519–1522 (1983)
https://doi.org/10.1063/1.444841
Third‐order optical susceptibility determination by third harmonic generation. I
J. Chem. Phys. 78, 1533–1542 (1983)
https://doi.org/10.1063/1.444844
Third‐order susceptibility determination by third harmonic generation. II
J. Chem. Phys. 78, 1543–1551 (1983)
https://doi.org/10.1063/1.444845
Classical and quantum‐mechanical models of thermal and flash desorption of atoms from surfaces
J. Chem. Phys. 78, 1582–1587 (1983)
https://doi.org/10.1063/1.444848
Analytic force constants for post‐Hartree–Fock wave functions: The simplest case
J. Chem. Phys. 78, 1607–1608 (1983)
https://doi.org/10.1063/1.444852
Experimental and theoretical studies of the density profile in the liquid–vapor interface of Cs
J. Chem. Phys. 78, 1611–1613 (1983)
https://doi.org/10.1063/1.444855
Disproof of extreme enhancement of electronic third order hyperpolarizability in TCNQ
J. Chem. Phys. 78, 1615–1616 (1983)
https://doi.org/10.1063/1.444857
Legendre transforms and constrained search constructions of density functionals
J. Chem. Phys. 78, 1616–1618 (1983)
https://doi.org/10.1063/1.444858
Erratum: Rotationally inelastic collisions between a diatomic molecule in a 2Σ+ electronic state and a structureless target [J. Chem. Phys. 76, 3637 (1982)]; Rotationally inelastic collisions between a diatomic molecule in a 2Π electronic state and a structureless target [J. Chem. Phys. 76, 5974 (1982)]
J. Chem. Phys. 78, 1625 (1983)
https://doi.org/10.1063/1.445496
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.