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High resolution laser spectroscopy of NO: The A, v=1 state and a series of nf, v=1 Rydberg states
J. Chem. Phys. 89, 2599–2608 (1988)
https://doi.org/10.1063/1.455008
Properties of the solid–liquid interface layer of growing ice crystals: A Raman and Rayleigh scattering study
J. Chem. Phys. 89, 2622–2629 (1988)
https://doi.org/10.1063/1.455011
Photothermal lensing spectroscopy of supersonic jet expansions of acetylene
J. Chem. Phys. 89, 2630–2634 (1988)
https://doi.org/10.1063/1.455012
Optically pumped atomic spin orientation and the law of mass action for 2Cs⇄Cs2
J. Chem. Phys. 89, 2635–2639 (1988)
https://doi.org/10.1063/1.455013
Ultraviolet resonance Raman study of the pyrene S4, S3, and S2 excited electronic states
J. Chem. Phys. 89, 2649–2661 (1988)
https://doi.org/10.1063/1.455015
Tangled T←S spectra of benzaldehyde in methylcyclohexane at low temperature
J. Chem. Phys. 89, 2662–2667 (1988)
https://doi.org/10.1063/1.455016
Electronic structure and photoelectron spectra of substituted anilines
J. Chem. Phys. 89, 2668–2674 (1988)
https://doi.org/10.1063/1.455017
Electronic emission spectroscopy of Group IV tetrachloro molecular ions
J. Chem. Phys. 89, 2675–2682 (1988)
https://doi.org/10.1063/1.455018
Subnanosecond‐time‐resolved emission spectroscopy of 1‐methylindole and 2,3‐dimethylindole in n‐butanol
J. Chem. Phys. 89, 2712–2719 (1988)
https://doi.org/10.1063/1.455693
Molecular beam spectrum of the highly perturbed C–H stretching region of fluoroform
J. Chem. Phys. 89, 2720–2728 (1988)
https://doi.org/10.1063/1.455023
Medium effects on valence and low‐n Rydberg states: NO in argon and krypton
J. Chem. Phys. 89, 2729–2737 (1988)
https://doi.org/10.1063/1.455024
A Fourier transform infrared study of the D and 13C substituted C2H3 vinyl radical in solid argon
J. Chem. Phys. 89, 2738–2742 (1988)
https://doi.org/10.1063/1.455025
The spectroscopy and molecular dynamics of the high frequency ν16 intermolecular vibrations in HCN‐‐‐HF and DCN‐‐‐DF
J. Chem. Phys. 89, 2775–2780 (1988)
https://doi.org/10.1063/1.455030
A reanalysis of the molecular beam electric resonance Stark effect data for the a 3Π state of carbon monoxide
J. Chem. Phys. 89, 2781–2788 (1988)
https://doi.org/10.1063/1.455031
Internal conversion rates for single vibronic levels of S2 in azulene
J. Chem. Phys. 89, 2789–2796 (1988)
https://doi.org/10.1063/1.455032
Influence of polydispersity on dynamic light scattering measurements on concentrated suspensions
J. Chem. Phys. 89, 2810–2815 (1988)
https://doi.org/10.1063/1.454983
Bimolecular reactions with a reactive site on a spherical particle: A Hamiltonian formulation
J. Chem. Phys. 89, 2816–2821 (1988)
https://doi.org/10.1063/1.454984
Fine‐structure inelastic differential cross sections and B 2Σ potentials for the potassium rare gas interaction
J. Chem. Phys. 89, 2822–2828 (1988)
https://doi.org/10.1063/1.454985
Kinetics of the reaction of gallium arsenide with molecular chlorine
J. Chem. Phys. 89, 2844–2847 (1988)
https://doi.org/10.1063/1.454988
The rotational energy accommodation of NO formed in the catalytic oxidation of NH3 over Pt(111)
J. Chem. Phys. 89, 2861–2865 (1988)
https://doi.org/10.1063/1.454990
The HeNe interatomic potential from multiproperty fits and Hartree–Fock calculations
J. Chem. Phys. 89, 2866–2880 (1988)
https://doi.org/10.1063/1.454991
Determination of the intrinsic reaction coordinate: Comparison of gradient and local quadratic approximation methods
J. Chem. Phys. 89, 2881–2885 (1988)
https://doi.org/10.1063/1.454992
Semiclassical Gaussian wave packet dynamics for collinear reactive scattering
J. Chem. Phys. 89, 2886–2893 (1988)
https://doi.org/10.1063/1.454993
Determination of non‐Boltzmann vibrational distributions of N2(X,v″) in He/N2 microwave‐discharge afterglows
J. Chem. Phys. 89, 2918–2924 (1988)
https://doi.org/10.1063/1.455692
Identification of intramolecular energy transfer pathways in a reactive triatomic system
J. Chem. Phys. 89, 2948–2957 (1988)
https://doi.org/10.1063/1.455710
Quenching and excitation transfer for the c 3Π−u and a 3Σ+g states of H2 in collisions with H2
J. Chem. Phys. 89, 2965–2974 (1988)
https://doi.org/10.1063/1.455002
Theoretical study of the nitrogen atom hyperfine coupling constant
J. Chem. Phys. 89, 2985–2992 (1988)
https://doi.org/10.1063/1.455004
Studies of the photoionization cross sections of CH4
J. Chem. Phys. 89, 2998–3001 (1988)
https://doi.org/10.1063/1.455006
An analytical six‐dimensional potential energy surface for (HF)2 from ab initio calculations
J. Chem. Phys. 89, 3002–3007 (1988)
https://doi.org/10.1063/1.455007
Ab initio calculations on the energy of activation and tunneling in the automerization of cyclobutadiene
J. Chem. Phys. 89, 3008–3015 (1988)
https://doi.org/10.1063/1.454956
Theoretical spectroscopy of the NO radical. I. Potential curves and lifetimes of excited states
J. Chem. Phys. 89, 3028–3043 (1988)
https://doi.org/10.1063/1.454958
Nonperturbative calculation of energies and widths of predissociative states of diatomic molecules
J. Chem. Phys. 89, 3057–3062 (1988)
https://doi.org/10.1063/1.454961
Application of the multiconfiguration time‐dependent Hartree–Fock method to CH+: The auxiliary active space
J. Chem. Phys. 89, 3063–3070 (1988)
https://doi.org/10.1063/1.454962
A multiconfigurational self‐consistent reaction‐field method
J. Chem. Phys. 89, 3086–3095 (1988)
https://doi.org/10.1063/1.454965
Ab initio study of electronic energy transfer in the quenching of N2(A 3Σ+u) and N2(B 3Πg) by H2
J. Chem. Phys. 89, 3113–3123 (1988)
https://doi.org/10.1063/1.454968
Application of adiabatic switching to vibrational energies of three‐dimensional HCO, H2O, and H2CO
J. Chem. Phys. 89, 3124–3130 (1988)
https://doi.org/10.1063/1.454969
Vibrational frequencies and intensities of H‐bonded and Li‐bonded complexes. H3N⋅⋅HCl and H3N⋅⋅LiCl
J. Chem. Phys. 89, 3131–3138 (1988)
https://doi.org/10.1063/1.454970
Adiabatic and diabatic potential energy surfaces for collisions of CN(X 2Σ+, A 2Π) with He
J. Chem. Phys. 89, 3139–3151 (1988)
https://doi.org/10.1063/1.454971
A tractable molecular theory of flow in strongly inhomogeneous fluids
J. Chem. Phys. 89, 3152–3162 (1988)
https://doi.org/10.1063/1.454972
High pressure Raman spectra and pressure‐induced phase transitions of β‐9,10‐dichloroanthracene
J. Chem. Phys. 89, 3163–3167 (1988)
https://doi.org/10.1063/1.455691
High density Monte Carlo simulations of chain molecules: Bulk equation of state and density profile near walls
J. Chem. Phys. 89, 3168–3174 (1988)
https://doi.org/10.1063/1.454973
Instabilities in closed chemical systems under nonideal conditions. II. Debye–Hückel interactions
J. Chem. Phys. 89, 3175–3180 (1988)
https://doi.org/10.1063/1.454974
Multitime correlation functions and susceptibilities for a Brownian two‐dimensional rotor
J. Chem. Phys. 89, 3181–3189 (1988)
https://doi.org/10.1063/1.454975
Ionic dynamics in computer simulated molten LiNO3. I. Translational and reorientational motion
J. Chem. Phys. 89, 3211–3221 (1988)
https://doi.org/10.1063/1.454978
Extraction of ground state properties by discretized path integral formulations
J. Chem. Phys. 89, 3233–3239 (1988)
https://doi.org/10.1063/1.454980
Molecular model for aqueous ferrous–ferric electron transfer
J. Chem. Phys. 89, 3248–3257 (1988)
https://doi.org/10.1063/1.454929
Porosity for the penetrable‐concentric‐shell model of two‐phase disordered media: Computer simulation results
J. Chem. Phys. 89, 3258–3263 (1988)
https://doi.org/10.1063/1.454930
Statistical thermodynamics of association colloids. I. Lipid bilayer membranes
J. Chem. Phys. 89, 3264–3274 (1988)
https://doi.org/10.1063/1.454931
Localization phase diagram for the energetically and substitutionally disordered Anderson/quantum percolation model
J. Chem. Phys. 89, 3279–3284 (1988)
https://doi.org/10.1063/1.454933
An interaction site approach to clustering and percolation phenomena in systems of nonspherical particles
J. Chem. Phys. 89, 3300–3307 (1988)
https://doi.org/10.1063/1.454936
Use of the Fixman–Alben distribution function in the analysis of non‐Gaussian rubber‐like elasticity
J. Chem. Phys. 89, 3314–3316 (1988)
https://doi.org/10.1063/1.454938
Order parameter and packing studies in nematic and smectic A phases by x‐ray diffraction
J. Chem. Phys. 89, 3317–3322 (1988)
https://doi.org/10.1063/1.454939
An infrared study of the symmetric P–F stretch of PF3 chemisorbed on the Pt(111) surface
J. Chem. Phys. 89, 3323–3330 (1988)
https://doi.org/10.1063/1.454940
The orientation of pyridine on Pd(110): An angle‐resolved photoemission study
J. Chem. Phys. 89, 3331–3336 (1988)
https://doi.org/10.1063/1.454941
Effect of collision energy and incidence angle on the precursor‐mediated dissociative chemisorption of N2 on W(100)
J. Chem. Phys. 89, 3337–3341 (1988)
https://doi.org/10.1063/1.454942
Equation of state of polymer melts: General formulation of a microscopic integral equation theory
J. Chem. Phys. 89, 3342–3349 (1988)
https://doi.org/10.1063/1.454943
Equation of state of polymer melts: Numerical results for athermal freely jointed chain fluids
J. Chem. Phys. 89, 3350–3362 (1988)
https://doi.org/10.1063/1.454944
Energy flow pathways and their spectral signatures in vibrationally excited acetylene
J. Chem. Phys. 89, 3379–3381 (1988)
https://doi.org/10.1063/1.454948
Observation of the formation of C+, O+, and ArC+ in the collisions of Ar+(2P3/2,1/2) with CO
J. Chem. Phys. 89, 3381–3382 (1988)
https://doi.org/10.1063/1.455708
Symmetric stretch excitation of CH3 in the 193.3 nm photolysis of CH3I
J. Chem. Phys. 89, 3383–3384 (1988)
https://doi.org/10.1063/1.454949
Near resonant V–R,T energy transfer in the relaxation of vibrationally excited HF by CO
J. Chem. Phys. 89, 3384–3386 (1988)
https://doi.org/10.1063/1.454950
Adsorption kinetics of surfactant molecules at a liquid–air interface
J. Chem. Phys. 89, 3386–3387 (1988)
https://doi.org/10.1063/1.454951
Reaction cross sections and threshold energy in the reaction of isotopically pure H atoms and ethane
J. Chem. Phys. 89, 3388–3389 (1988)
https://doi.org/10.1063/1.454952
The Debye–Waller factor and the phonon frequency spectrum in molecule–surface scattering
J. Chem. Phys. 89, 3389–3390 (1988)
https://doi.org/10.1063/1.454953
Nascent vibrational distribution of N2(B 3Πg) produced by the reaction of Kr(3P2) with N2
J. Chem. Phys. 89, 3391–3392 (1988)
https://doi.org/10.1063/1.454954
Reply to ‘‘Comment on: ‘Semiclassical phase space evolution of Fermi resonance spectra’ ’’
J. Chem. Phys. 89, 3396–3397 (1988)
https://doi.org/10.1063/1.455706
Comment on: ‘‘The vibrational relaxation of highly excited SF6 by argon’’
J. Chem. Phys. 89, 3398–3399 (1988)
https://doi.org/10.1063/1.454908
Reply to a ‘‘Comment on: ‘The vibrational relaxation of highly excited molecules’ ’’
J. Chem. Phys. 89, 3399–3400 (1988)
https://doi.org/10.1063/1.454909
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.