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Doppler‐free spectrum of the B 1Π–X 1Σ+ transition of NaK, and the perturbation and hyperfine splitting
J. Chem. Phys. 89, 7049–7055 (1988)
https://doi.org/10.1063/1.455334
Electronic and vibrational relaxation in Rydberg and valence states of NO in Ne matrices
J. Chem. Phys. 89, 7083–7093 (1988)
https://doi.org/10.1063/1.455338
Mechanisms of the L′ 2Φ–X 2Π emission of NO in Ar and Kr matrices
J. Chem. Phys. 89, 7094–7099 (1988)
https://doi.org/10.1063/1.455288
Overtone spectra of C–H oscillators in cold molecules
J. Chem. Phys. 89, 7100–7111 (1988)
https://doi.org/10.1063/1.455289
Emission spectra and electronic structure of group IIIa monohalide cations
J. Chem. Phys. 89, 7112–7125 (1988)
https://doi.org/10.1063/1.455290
Lifetime of the A 2Σ+, v′=0 level of HS measured using the Hanle effect
J. Chem. Phys. 89, 7167–7171 (1988)
https://doi.org/10.1063/1.455294
Trigonal sites of Eu2+ in single crystals of Cs2NaYCl6
J. Chem. Phys. 89, 7189–7192 (1988)
https://doi.org/10.1063/1.455297
Rotation–vibration interactions between the two lowest frequency modes in formaldehyde
J. Chem. Phys. 89, 7201–7216 (1988)
https://doi.org/10.1063/1.455299
Energy disposal in the photofragmentation of W(CO)6: Experimental observations and physical models
J. Chem. Phys. 89, 7217–7225 (1988)
https://doi.org/10.1063/1.455300
Negative ion formation in K(nd)–CS2 collisions: Detection of electric‐field‐induced detachment from CS−2
J. Chem. Phys. 89, 7226–7228 (1988)
https://doi.org/10.1063/1.455301
Electron degradation and yields on initial products. II. Subexcitation electrons in molecular nitrogen
J. Chem. Phys. 89, 7229–7237 (1988)
https://doi.org/10.1063/1.455302
Improved infinite order sudden cross sections for the Li+HF reaction
J. Chem. Phys. 89, 7238–7241 (1988)
https://doi.org/10.1063/1.455303
Rotational rainbows in the vibrational predissociation of ICl–He complexes
J. Chem. Phys. 89, 7277–7286 (1988)
https://doi.org/10.1063/1.455308
The vibrational circular dichroism of dimethylcyclopropane in the C–H stretching region
J. Chem. Phys. 89, 7287–7297 (1988)
https://doi.org/10.1063/1.455309
Approximate calculation of the Jahn–Teller energy and Ham reduction factor for CH3S
J. Chem. Phys. 89, 7298–7300 (1988)
https://doi.org/10.1063/1.455310
Two‐photon ionization cross section calculation for H2O
J. Chem. Phys. 89, 7301–7306 (1988)
https://doi.org/10.1063/1.455311
Why does unrestricted Mo/ller–Plesset perturbation theory converge so slowly for spin‐contaminated wave functions?
J. Chem. Phys. 89, 7307–7314 (1988)
https://doi.org/10.1063/1.455312
Spin‐forbidden radiative decay involving quasidegenerate states. Application to the B 1Σ+→a 3Π transition in MgO
J. Chem. Phys. 89, 7324–7333 (1988)
https://doi.org/10.1063/1.455263
New method for numerical integration of the radial electronic Schrödinger equation
J. Chem. Phys. 89, 7344–7348 (1988)
https://doi.org/10.1063/1.455265
Theoretical study on electronic structures of AuF6 and its anions
J. Chem. Phys. 89, 7363–7366 (1988)
https://doi.org/10.1063/1.455267
Approximately diabatic states from block diagonalization of the electronic Hamiltonian
J. Chem. Phys. 89, 7367–7381 (1988)
https://doi.org/10.1063/1.455268
An efficient reformulation of the closed‐shell coupled cluster single and double excitation (CCSD) equations
J. Chem. Phys. 89, 7382–7387 (1988)
https://doi.org/10.1063/1.455269
The electronic structure of a liquid of interacting hydrogenic atoms: A prototype for expanded liquid metals
J. Chem. Phys. 89, 7388–7400 (1988)
https://doi.org/10.1063/1.455270
Refractivity virial coefficients of C2H4 and C2H4–Ar mixtures
J. Chem. Phys. 89, 7435–7440 (1988)
https://doi.org/10.1063/1.455273
Quenched random strain fields and lattice mediated interactions in K(CN)x Br1−x and K(CN)xCl1−x
J. Chem. Phys. 89, 7441–7444 (1988)
https://doi.org/10.1063/1.455274
Variance and correlation length of energy estimators in Metropolis path integral Monte Carlo
J. Chem. Phys. 89, 7454–7456 (1988)
https://doi.org/10.1063/1.455276
Ionic dynamics in computer simulated molten LiNO3. II. Tumbling and spinning motions of nitrate ions
J. Chem. Phys. 89, 7471–7477 (1988)
https://doi.org/10.1063/1.455279
Coriolis and anharmonicity couplings in the intramolecular vibrational energy flow: H+3 potential
J. Chem. Phys. 89, 7485–7491 (1988)
https://doi.org/10.1063/1.455281
Structures and energetics of monovalent ion–water microclusters. II. Thermal phenomena
J. Chem. Phys. 89, 7492–7501 (1988)
https://doi.org/10.1063/1.455282
Sedimentation and dispersion of Brownian particles in spatially periodic potential fields
J. Chem. Phys. 89, 7510–7520 (1988)
https://doi.org/10.1063/1.455284
Structural and dynamical correlations in Ag2Se: A molecular dynamics study of superionic and molten phases
J. Chem. Phys. 89, 7542–7555 (1988)
https://doi.org/10.1063/1.455287
Epitaxial growth of CO on NaCl(100) studied by infrared spectroscopy
J. Chem. Phys. 89, 7561–7568 (1988)
https://doi.org/10.1063/1.455242
Unoccupied molecular orbitals of aromatic hydrocarbons adsorbed on Ag(111)
J. Chem. Phys. 89, 7569–7576 (1988)
https://doi.org/10.1063/1.455720
Dielectric relaxation spectra for the bulk and concentrated solutions of cis‐polyisoprene
J. Chem. Phys. 89, 7593–7598 (1988)
https://doi.org/10.1063/1.455245
Resonant Raman scattering of controlled molecular weight polyacetylene
J. Chem. Phys. 89, 7615–7620 (1988)
https://doi.org/10.1063/1.455248
On the use of scaled quantum mechanical force fields for predicting quartic centrifugal distortion constants
J. Chem. Phys. 89, 7646–7648 (1988)
https://doi.org/10.1063/1.455250
Erratum: Theoretical study of the scandium and yttrium halides [J. Chem. Phys. 89, 396 (1988)]
J. Chem. Phys. 89, 7649 (1988)
https://doi.org/10.1063/1.455759
Erratum: Theoretical studies of AlF, AlCl, and AlBr [J. Chem. Phys. 88, 5715 (1988)]
J. Chem. Phys. 89, 7650 (1988)
https://doi.org/10.1063/1.455757
A theory of pitch for the hydrodynamic properties of molecules, helices, and achiral swimmers at low Reynolds number
Anderson D. S. Duraes, J. Daniel Gezelter
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
Electronic structure simulations in the cloud computing environment
Eric J. Bylaska, Ajay Panyala, et al.