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Laser spectroscopy of the transition of ytterbium monoacetylide
J. Chem. Phys. 107, 2720–2727 (1997)
https://doi.org/10.1063/1.474629
Pulsed discharge nozzle Fourier transform microwave spectroscopy of the propargyl radical
J. Chem. Phys. 107, 2728–2733 (1997)
https://doi.org/10.1063/1.474631
Line strengths of diatomics: The transition of the NF radical
J. Chem. Phys. 107, 2752–2759 (1997)
https://doi.org/10.1063/1.475127
Theory and simulation of vibrational effects on structural measurements by solid-state nuclear magnetic resonance
J. Chem. Phys. 107, 2760–2774 (1997)
https://doi.org/10.1063/1.474633
Nuclear spin relaxation of spin one-half nuclei in the presence of neighboring higher-spin nuclei
J. Chem. Phys. 107, 2775–2781 (1997)
https://doi.org/10.1063/1.474634
Rotationally resolved multiphoton ionization photoelectron spectroscopy of the and Rydberg states of the SH radical
J. Chem. Phys. 107, 2782–2792 (1997)
https://doi.org/10.1063/1.474635
Reactions of laser-ablated chromium atoms with dioxygen. Infrared spectra of CrO, OCrO, CrOO, and in solid argon
J. Chem. Phys. 107, 2798–2806 (1997)
https://doi.org/10.1063/1.474637
Structural investigation of copper(II) chloride solutions using x-ray absorption spectroscopy
J. Chem. Phys. 107, 2807–2812 (1997)
https://doi.org/10.1063/1.474638
Explicit expressions for triatomic Eckart frames in Jacobi, Radau, and bond coordinates
J. Chem. Phys. 107, 2813–2818 (1997)
https://doi.org/10.1063/1.474639
Energy transfer investigations on pure Cr(III)-complex compounds using resonant emission measurements
J. Chem. Phys. 107, 2819–2828 (1997)
https://doi.org/10.1063/1.474640
Near-infrared band of the nitrate radical observed by diode laser spectroscopy
J. Chem. Phys. 107, 2829–2838 (1997)
https://doi.org/10.1063/1.474641
Capture of lithium by 4He clusters: Surface adsorption, Penning ionization, and formation of
J. Chem. Phys. 107, 2839–2844 (1997)
https://doi.org/10.1063/1.474642
Determination of rate constants for butene isomerization by a temporal inversion method
J. Chem. Phys. 107, 2845–2852 (1997)
https://doi.org/10.1063/1.474643
A multidimensional Landau-Zener description of chemical reaction dynamics and vibrational coherence
J. Chem. Phys. 107, 2859–2871 (1997)
https://doi.org/10.1063/1.474645
Interplay of geminate and bimolecular reactions in multistage electron and energy transfer
J. Chem. Phys. 107, 2872–2880 (1997)
https://doi.org/10.1063/1.474646
Slow manifold structure and the emergence of mixed-mode oscillations
J. Chem. Phys. 107, 2881–2889 (1997)
https://doi.org/10.1063/1.474647
Stochastic theories of the activated complex and the activated collision: The RNA example
J. Chem. Phys. 107, 2903–2912 (1997)
https://doi.org/10.1063/1.474649
Resonance Raman study of solvent dynamics in electron transfer. II. Betaine-30 in CH3OH and CD3OD
J. Chem. Phys. 107, 2920–2929 (1997)
https://doi.org/10.1063/1.474708
Bound states and time-dependent dynamics of the molecular ion in its ground electronic state. I. 2D treatment
J. Chem. Phys. 107, 2930–2941 (1997)
https://doi.org/10.1063/1.474651
The structure of supercritical heavy water as studied by neutron diffraction
J. Chem. Phys. 107, 2942–2949 (1997)
https://doi.org/10.1063/1.475155
Superexcited states of OCS probed by using photoelectron spectroscopy for autoionizing atomic sulfur
J. Chem. Phys. 107, 2950–2961 (1997)
https://doi.org/10.1063/1.474652
Negative ion photoelectron spectroscopy of the ground state, dipole-bound dimeric anion,
J. Chem. Phys. 107, 2962–2967 (1997)
https://doi.org/10.1063/1.474653
Semiclassical wave packet calculations on ion–molecule reactions: Studies on reaction
J. Chem. Phys. 107, 2974–2989 (1997)
https://doi.org/10.1063/1.474655
A study of aqueous glutamic acid using the effective fragment potential method
J. Chem. Phys. 107, 2990–2999 (1997)
https://doi.org/10.1063/1.474656
Accuracy of electronic wave functions in quantum Monte Carlo: The effect of high-order correlations
J. Chem. Phys. 107, 3007–3013 (1997)
https://doi.org/10.1063/1.474658
Use of Gauss–Hermite quadrature in the treatment of predissociation resonances with the complex-scaling method
J. Chem. Phys. 107, 3014–3020 (1997)
https://doi.org/10.1063/1.474702
Combined ab initio and density functional study on polaron to bipolaron transitions in oligophenyls and oligothiophenes
J. Chem. Phys. 107, 3021–3031 (1997)
https://doi.org/10.1063/1.474701
Is the Gaussian-2 technique reliable for determining the energetics of small molecular dications?
J. Chem. Phys. 107, 3042–3055 (1997)
https://doi.org/10.1063/1.474660
Geometric and electronic structures of silicon–sodium binary clusters. I. Ionization energy of
J. Chem. Phys. 107, 3056–3070 (1997)
https://doi.org/10.1063/1.474661
Noble gas temperature control of metal clusters: A molecular dynamics study
J. Chem. Phys. 107, 3071–3079 (1997)
https://doi.org/10.1063/1.474662
Structure of liquid carbon tetrachloride up to the subcritical point measured by wide -range neutron diffraction
J. Chem. Phys. 107, 3080–3084 (1997)
https://doi.org/10.1063/1.475051
Crossover Leung–Griffiths model and the phase behavior of dilute aqueous ionic solutions
J. Chem. Phys. 107, 3085–3097 (1997)
https://doi.org/10.1063/1.474663
The short-time intramolecular dynamics of solutes in liquids. II. Vibrational population relaxation
J. Chem. Phys. 107, 3098–3120 (1997)
https://doi.org/10.1063/1.474664
The frequency-dependent conductivity of a saturated solution of in water: A molecular dynamics simulation
J. Chem. Phys. 107, 3135–3143 (1997)
https://doi.org/10.1063/1.474703
Variational energy band theory for polarons: Mapping polaron structure with the Toyozawa method
J. Chem. Phys. 107, 3159–3178 (1997)
https://doi.org/10.1063/1.474667
Variational energy band theory for polarons: Mapping polaron structure with the global-local method
J. Chem. Phys. 107, 3179–3195 (1997)
https://doi.org/10.1063/1.474668
Kinetic effect of cluster-cluster processes on homogeneous nucleation rates in one- and two-component systems
J. Chem. Phys. 107, 3196–3203 (1997)
https://doi.org/10.1063/1.474669
A new definition of cavities for the computation of solvation free energies by the polarizable continuum model
J. Chem. Phys. 107, 3210–3221 (1997)
https://doi.org/10.1063/1.474671
A grand canonical simulation technique for dense and confined fluids with application to a Lennard-Jones fluid
J. Chem. Phys. 107, 3230–3238 (1997)
https://doi.org/10.1063/1.474673
Distributed approximating functional approach to the Fokker–Planck equation: Time propagation
J. Chem. Phys. 107, 3239–3246 (1997)
https://doi.org/10.1063/1.474674
On the molecular basis of hydrophobicity: A Monte Carlo study of propionic acid hydration
J. Chem. Phys. 107, 3253–3261 (1997)
https://doi.org/10.1063/1.474676
Aspects of sorption and phase behavior of near-critical fluids confined to mesoporous media
J. Chem. Phys. 107, 3262–3266 (1997)
https://doi.org/10.1063/1.474707
On lyotropic behavior of molecular bottle-brushes: A Monte Carlo computer simulation study
J. Chem. Phys. 107, 3267–3276 (1997)
https://doi.org/10.1063/1.474677
Brownian dynamics simulation of diffusion-limited polymerization of rodlike molecules: Isotropic translational diffusion
J. Chem. Phys. 107, 3289–3294 (1997)
https://doi.org/10.1063/1.474679
Six-dimensional quantum dynamics of dissociative chemisorption of on Cu(100)
J. Chem. Phys. 107, 3309–3323 (1997)
https://doi.org/10.1063/1.474682
Kinetics and dynamics in the photodissociation of the allyl radical
J. Chem. Phys. 107, 3329–3332 (1997)
https://doi.org/10.1063/1.474704
A fluid in contact with a semipermeable surface: Second-order integral equation approach
J. Chem. Phys. 107, 3333–3336 (1997)
https://doi.org/10.1063/1.474705
Exact quantum stereodynamics: The steric effect for the Li+HF→LiF+H reaction
J. Chem. Phys. 107, 3339–3340 (1997)
https://doi.org/10.1063/1.474684
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.
Light–matter interaction at the nano- and molecular scale
Kaifeng Wu, Chufeng Zhang, et al.