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Predissociation linewidths in O2 B 3Σu− (v=0,2)
J. Chem. Phys. 98, 5117–5133 (1993)
https://doi.org/10.1063/1.464941
Spectroscopic characterization of the lowest Π and Σ bending states of ArHCN
J. Chem. Phys. 98, 5158–5183 (1993)
https://doi.org/10.1063/1.464918
Quantum dynamics of overtone relaxation in benzene. III. Spectra and dynamics for relaxation from CH(v=3)
J. Chem. Phys. 98, 5191–5206 (1993)
https://doi.org/10.1063/1.464920
Highly vibrationally excited HCN/HNC: Eigenvalues, wave functions, and stimulated emission pumping spectra
J. Chem. Phys. 98, 5207–5221 (1993)
https://doi.org/10.1063/1.464921
Nuclear hyperfine interactions and dynamic state of H2O in Ar–H2O
J. Chem. Phys. 98, 5235–5238 (1993)
https://doi.org/10.1063/1.464923
Rotational distributions of molecular ions following core excitation and decay
J. Chem. Phys. 98, 5239–5241 (1993)
https://doi.org/10.1063/1.465064
Photoacoustic Fourier transform infrared spectroscopy of gases: A nonequilibrium approach
J. Chem. Phys. 98, 5259–5268 (1993)
https://doi.org/10.1063/1.464925
Fluorescence properties of submonolayers of rhodamine 6G in front of a mirror
J. Chem. Phys. 98, 5276–5280 (1993)
https://doi.org/10.1063/1.464927
Nonlinear response functions for birefringence and dichroism measurements in condensed phases
J. Chem. Phys. 98, 5314–5326 (1993)
https://doi.org/10.1063/1.464931
van der Waals rovibration levels and the high resolution spectrum of the argon–benzene dimer
J. Chem. Phys. 98, 5327–5336 (1993)
https://doi.org/10.1063/1.464932
Nonadditive intermolecular forces from the spectroscopy of van der Waals trimers: Calculations on Ar2–HCl
J. Chem. Phys. 98, 5337–5351 (1993)
https://doi.org/10.1063/1.464939
Photodissociation and vibrational relaxation of I2− in ethanol
J. Chem. Phys. 98, 5375–5389 (1993)
https://doi.org/10.1063/1.464910
Electron‐temperature dependence of the recombination of H3O+(H2O)n ions with electrons
J. Chem. Phys. 98, 5390–5395 (1993)
https://doi.org/10.1063/1.464911
Quantum dynamics of van der Waals clusters: Model results for He2Cl2 and Ne2Cl2 fragmentation
J. Chem. Phys. 98, 5396–5407 (1993)
https://doi.org/10.1063/1.464912
Calculations of inelastic collisions of excited states of Xe with He and Ar
J. Chem. Phys. 98, 5419–5430 (1993)
https://doi.org/10.1063/1.464891
Photoinduced charge‐transfer dissociation in van der Waals complexes. II. Na2...ClCH3, Na2...(ClCH3)2, and Na...FPh
J. Chem. Phys. 98, 5431–5443 (1993)
https://doi.org/10.1063/1.464892
Size‐dependent photodissociation cross sections for Sr+(NH3)n, n=3–6: Rydberg state formation and electron transfer
J. Chem. Phys. 98, 5450–5459 (1993)
https://doi.org/10.1063/1.464894
Laser‐induced gratings in free jets. I. Spectroscopy of predissociating NO2
J. Chem. Phys. 98, 5460–5468 (1993)
https://doi.org/10.1063/1.464895
Laser‐induced gratings in free jets. II. Photodissociation dynamics via photofragment transient gratings
J. Chem. Phys. 98, 5469–5476 (1993)
https://doi.org/10.1063/1.464896
Approximate phase‐space transport theory for vibrational predissociation
J. Chem. Phys. 98, 5486–5498 (1993)
https://doi.org/10.1063/1.464898
Vibrational and rotational relaxation times of solvated molecular ions
J. Chem. Phys. 98, 5499–5507 (1993)
https://doi.org/10.1063/1.464899
Nonadiabatic effects in the photodissociation of H2S in the first absorption band: An ab initio study
J. Chem. Phys. 98, 5508–5525 (1993)
https://doi.org/10.1063/1.465063
Simulations of the NO+NH3 and NO+H2 reactions on Pt(100): Steady state and oscillatory kinetics
J. Chem. Phys. 98, 5526–5539 (1993)
https://doi.org/10.1063/1.464900
Critical evaluation of some computational approaches to the problem of basis set superposition error
J. Chem. Phys. 98, 5540–5554 (1993)
https://doi.org/10.1063/1.464901
A comparison of calculated and experimental hyperpolarizabilities for acetonitrile in gas and liquid phases
J. Chem. Phys. 98, 5595–5603 (1993)
https://doi.org/10.1063/1.464904
Ab initio investigation of potential‐energy surfaces involved in the photophysics of benzene and pyrazine
J. Chem. Phys. 98, 5627–5641 (1993)
https://doi.org/10.1063/1.464907
Density‐functional thermochemistry. III. The role of exact exchange
In Special Collection:
JCP 90 for 90 Anniversary Collection
J. Chem. Phys. 98, 5648–5652 (1993)
https://doi.org/10.1063/1.464913
Methyl rotational potentials and transferable pair potentials in toluene
J. Chem. Phys. 98, 5653–5661 (1993)
https://doi.org/10.1063/1.464914
Henry’s law constant for diatomic and polyatomic Lennard‐Jones molecules
J. Chem. Phys. 98, 5662–5667 (1993)
https://doi.org/10.1063/1.464915
Effect of three‐body forces on the statics and dynamics of SF6–(Rg)n and (Rg)13 clusters
J. Chem. Phys. 98, 5668–5678 (1993)
https://doi.org/10.1063/1.464882
A quantum molecular dynamics simulation of an excess electron in methanol
J. Chem. Phys. 98, 5679–5693 (1993)
https://doi.org/10.1063/1.464883
Simple model of dehydration transitions in lamellar systems, such as lipid membranes
J. Chem. Phys. 98, 5701–5712 (1993)
https://doi.org/10.1063/1.464863
A variational model for the thermodynamical and structural properties of impurities in low temperature solids
J. Chem. Phys. 98, 5734–5746 (1993)
https://doi.org/10.1063/1.464866
Rescaled mean spherical approximation for a colloidal suspension confined in a planar slit
J. Chem. Phys. 98, 5747–5755 (1993)
https://doi.org/10.1063/1.464867
Inclusion of nonequilibrium continuum solvation effects in variational transition state theory
J. Chem. Phys. 98, 5756–5770 (1993)
https://doi.org/10.1063/1.464868
Experimental measurement of stochastic potentials and relative stabilities in a bistable chemical system
J. Chem. Phys. 98, 5771–5776 (1993)
https://doi.org/10.1063/1.464869
Equation of state for the soft‐sphere fluid from a direct summation of the virial series
J. Chem. Phys. 98, 5788–5792 (1993)
https://doi.org/10.1063/1.464871
The dynamics of H2 dissociation on Cu and Ni surfaces. Mixed quantum‐classical studies with all degrees of freedom
J. Chem. Phys. 98, 5800–5808 (1993)
https://doi.org/10.1063/1.464873
Rotator phases of the normal alkanes: An x‐ray scattering study
J. Chem. Phys. 98, 5809–5824 (1993)
https://doi.org/10.1063/1.464874
Infrared external reflection spectroscopic studies of phase transitions in Langmuir monolayers of heneicosanol
J. Chem. Phys. 98, 5835–5846 (1993)
https://doi.org/10.1063/1.465102
The relation between macroscopic quantities and the solid–fluid interfacial structure
J. Chem. Phys. 98, 5863–5872 (1993)
https://doi.org/10.1063/1.464878
Simulations of electrorheological and particle mixture suspensions: Agglomerate and layer structures
J. Chem. Phys. 98, 5873–5886 (1993)
https://doi.org/10.1063/1.464879
Exciton transport and degenerate four wave mixing in topologically disordered systems
J. Chem. Phys. 98, 5899–5911 (1993)
https://doi.org/10.1063/1.464881
Surface plasmon enhanced Raman spectroscopy with HS(CH2)21OH on different metals
J. Chem. Phys. 98, 5912–5919 (1993)
https://doi.org/10.1063/1.464885
Mechanism of quasi‐one‐dimensional electronic conductivity in discotic liquid crystals
J. Chem. Phys. 98, 5920–5931 (1993)
https://doi.org/10.1063/1.464886
Sticking and reaction of O2 on a potassium covered graphite surface
J. Chem. Phys. 98, 5932–5937 (1993)
https://doi.org/10.1063/1.464887
Total and partial decay widths in vibrational predissociation of HF dimer
J. Chem. Phys. 98, 5978–5981 (1993)
https://doi.org/10.1063/1.464858
The experimental determination of vibrational transition moments for HF dimer
J. Chem. Phys. 98, 5982–5984 (1993)
https://doi.org/10.1063/1.464859
Direct observation of the simultaneous transfer of vibrational energy and charge in the 15N2+(v)+14N2 reaction
J. Chem. Phys. 98, 5993–5995 (1993)
https://doi.org/10.1063/1.464862
Ultrafast transient‐absorption spectroscopy of the aqueous solvated electron
J. Chem. Phys. 98, 5996–5998 (1993)
https://doi.org/10.1063/1.464839
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.
Dielectric profile at the Pt(111)/water interface
Jia-Xin Zhu, Jun Cheng, et al.