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Intermolecular potentials and rovibrational energy levels of the Ar complexes with HCN and HCCH
J. Chem. Phys. 102, 7289–7297 (1995)
https://doi.org/10.1063/1.469040
Line mixing and nonlinear density effects in the ν3 and 3ν3 infrared bands of CO2 perturbed by He up to 1000 bar
J. Chem. Phys. 102, 7306–7316 (1995)
https://doi.org/10.1063/1.469042
The vibrationally resolved participator Auger spectra of selectively excited C 1s(2σ)−12π1 vibrational states in carbon monoxide
S. J. Osborne; A. Ausmees; S. Svensson; A. Kivimäki; O.‐P. Sairanen; A. Naves de Brito; H. Aksela; S. Aksela
J. Chem. Phys. 102, 7317–7324 (1995)
https://doi.org/10.1063/1.469043
Infrared vibrational spectra of matrix‐isolated cyclic Li2F2, Li3F3, and Li4F4 isotopomers
J. Chem. Phys. 102, 7325–7331 (1995)
https://doi.org/10.1063/1.469044
Far‐wing excitation study on the transit region of Hg 3P1→3P0 intramultiplet process in collisions with N2 and CO
J. Chem. Phys. 102, 7341–7350 (1995)
https://doi.org/10.1063/1.469046
The electronic spectroscopy of the Ba+–Ar complex: Potential surface and dissociation energies
J. Chem. Phys. 102, 7359–7368 (1995)
https://doi.org/10.1063/1.469048
Renner–Teller effect and Rydberg‐valence mixing in the N and O K‐edge photoabsorption spectra of N2O
J. Chem. Phys. 102, 7369–7376 (1995)
https://doi.org/10.1063/1.469049
The structure of small nickel clusters. II. Ni16–Ni28
J. Chem. Phys. 102, 7377–7389 (1995)
https://doi.org/10.1063/1.469050
Spectral projection approach to the quantum scattering calculations
J. Chem. Phys. 102, 7390–7399 (1995)
https://doi.org/10.1063/1.469051
Quantum dynamics study of the reaction HD+OH→H+DOH, D+HOH
J. Chem. Phys. 102, 7400–7408 (1995)
https://doi.org/10.1063/1.469052
Temperature dependent quenching of A 2Σ+ NO between 215 and 300 K
J. Chem. Phys. 102, 7418–7424 (1995)
https://doi.org/10.1063/1.469054
Highly efficient collisional stabilization and the symmetry constrained dynamics of high temperature complex formation
J. Chem. Phys. 102, 7425–7436 (1995)
https://doi.org/10.1063/1.469055
Confirmation of long‐range collision complex stabilization through the controlled relaxation of high internal excitation
J. Chem. Phys. 102, 7437–7447 (1995)
https://doi.org/10.1063/1.469056
Theory of nonadiabatic transition for general two‐state curve crossing problems. II. Landau–Zener case
J. Chem. Phys. 102, 7448–7461 (1995)
https://doi.org/10.1063/1.469057
Classical analysis of diatomic dissociation dynamics in intense laser fields
J. Chem. Phys. 102, 7462–7471 (1995)
https://doi.org/10.1063/1.469058
Charge renormalization at the large‐D limit for N‐electron atoms and weakly bound systems
J. Chem. Phys. 102, 7472–7478 (1995)
https://doi.org/10.1063/1.469059
Benchmark full configuration interaction calculations on the helium dimer
J. Chem. Phys. 102, 7479–7483 (1995)
https://doi.org/10.1063/1.469060
A density‐functional study of cluster reactivity. II. Two ammonia molecules reacting with a free Ga5As5 cluster
J. Chem. Phys. 102, 7484–7489 (1995)
https://doi.org/10.1063/1.469061
Spin–resolved analysis of electronegativity equalization and electron flow in molecules
J. Chem. Phys. 102, 7499–7503 (1995)
https://doi.org/10.1063/1.469081
An ab initio investigation on transition states and reactivity of chloroethane with OH radical
J. Chem. Phys. 102, 7504–7518 (1995)
https://doi.org/10.1063/1.469082
Avoided crossings in potential curves of BF2+: A study of models for bonding in diatomic dications
J. Chem. Phys. 102, 7519–7529 (1995)
https://doi.org/10.1063/1.469083
Potential energy surfaces for Pt3+H2 and Pd3+H2 systems
J. Chem. Phys. 102, 7530–7539 (1995)
https://doi.org/10.1063/1.469084
Potential curves and nonadiabatic matrix elements for collisions involving fragments of the HeN+ molecular ion
J. Chem. Phys. 102, 7540–7548 (1995)
https://doi.org/10.1063/1.469085
A new definition of atomic charges based on a variational principle for the electrostatic potential energy
J. Chem. Phys. 102, 7549–7556 (1995)
https://doi.org/10.1063/1.469086
An ab initio investigation of structure and energetics of clusters MgnCl2n
J. Chem. Phys. 102, 7557–7563 (1995)
https://doi.org/10.1063/1.469087
Pseudospectral multireference single and double excitation configuration interaction
J. Chem. Phys. 102, 7564–7572 (1995)
https://doi.org/10.1063/1.469088
Boundary tension: From wetting transition to prewetting critical point
J. Chem. Phys. 102, 7584–7594 (1995)
https://doi.org/10.1063/1.469009
Free energy and cluster structure in the coexistence region of the restricted primitive model
J. Chem. Phys. 102, 7610–7621 (1995)
https://doi.org/10.1063/1.469012
Finite‐size effects on drying and wetting transitions in a molecular dynamics simulation
J. Chem. Phys. 102, 7622–7631 (1995)
https://doi.org/10.1063/1.469013
Thermodynamic properties of mixtures of dipolar and quadrupolar hard spheres: Theory and simulation
J. Chem. Phys. 102, 7632–7640 (1995)
https://doi.org/10.1063/1.469014
A statistical theory of mixtures: Application in the calculation of the vacancy formation parameters in rare gas solids
J. Chem. Phys. 102, 7641–7649 (1995)
https://doi.org/10.1063/1.469015
Microscopic structure of low temperature liquid ammonia: A neutron diffraction experiment
J. Chem. Phys. 102, 7650–7655 (1995)
https://doi.org/10.1063/1.469016
Molecular dynamics study of water clusters containing ion pairs: From contact to dissociation
J. Chem. Phys. 102, 7664–7673 (1995)
https://doi.org/10.1063/1.469018
Monte Carlo study of CO hydrogenation on cobalt model catalysts
J. Chem. Phys. 102, 7674–7682 (1995)
https://doi.org/10.1063/1.469019
Thermal collision rate constants for small nickel clusters of size 2–14 atoms
J. Chem. Phys. 102, 7683–7699 (1995)
https://doi.org/10.1063/1.469020
Viscoelastic response of bidisperse melts in the lateral motion model
J. Chem. Phys. 102, 7700–7707 (1995)
https://doi.org/10.1063/1.469021
Structure of H+3 in high electric fields with implications for the structure of adsorbed H3
J. Chem. Phys. 102, 7708–7713 (1995)
https://doi.org/10.1063/1.469022
Relation between the orientational ordering and the tricritical behavior for smectic‐A to smectic‐C phase transition
J. Chem. Phys. 102, 7714–7720 (1995)
https://doi.org/10.1063/1.469023
Rigidity of colloidal crystals as studied by the diffusion equilibrium method
J. Chem. Phys. 102, 7721–7727 (1995)
https://doi.org/10.1063/1.469024
Instability in the dynamics of long DNA undergoing gel electrophoresis in a strong field
J. Chem. Phys. 102, 7728–7733 (1995)
https://doi.org/10.1063/1.469025
The structure and chemistry of CH3 and CH radicals adsorbed on Ni(111)
J. Chem. Phys. 102, 7734–7749 (1995)
https://doi.org/10.1063/1.469026
Dynamic properties of molecular chains with variable stiffness
J. Chem. Phys. 102, 7750–7757 (1995)
https://doi.org/10.1063/1.469027
Deuterium isotope effect on the solvation dynamics
J. Chem. Phys. 102, 7758–7760 (1995)
https://doi.org/10.1063/1.469028
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
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
Electronic structure simulations in the cloud computing environment
Eric J. Bylaska, Ajay Panyala, et al.