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Saturation behavior in degenerate four‐wave mixing with nonmonochromatic, non‐Lorentzian fields
J. Chem. Phys. 105, 8481–8489 (1996)
https://doi.org/10.1063/1.472633
Field and temperature dependencies of free carrier photogeneration efficiencies of molecular glasses
J. Chem. Phys. 105, 8490–8494 (1996)
https://doi.org/10.1063/1.472634
Rotational spectra, structures, and dynamics of small Arm–(H2O)n clusters: The Ar2–H2O trimer
J. Chem. Phys. 105, 8495–8501 (1996)
https://doi.org/10.1063/1.472611
An accurate modified Kramers–Kronig transformation from reflectance to phase shift on attenuated total reflection
J. Chem. Phys. 105, 8502–8514 (1996)
https://doi.org/10.1063/1.472635
On the interrelation between nuclear dynamics and spectral line shapes in clusters
J. Chem. Phys. 105, 8523–8535 (1996)
https://doi.org/10.1063/1.472637
Interplay of multiple vibrational spectral densities in femtosecond nonlinear spectroscopy of liquids
J. Chem. Phys. 105, 8543–8555 (1996)
https://doi.org/10.1063/1.472639
On a theoretical model for the Renner–Teller effect in tetra‐atomic molecules
J. Chem. Phys. 105, 8569–8585 (1996)
https://doi.org/10.1063/1.472641
Two‐exciton spectroscopy of photosynthetic antenna complexes: Collective oscillator analysis
J. Chem. Phys. 105, 8586–8601 (1996)
https://doi.org/10.1063/1.472642
Resonance Raman spectrum of HOCl—A time‐dependent quantum dynamical treatment
J. Chem. Phys. 105, 8615–8627 (1996)
https://doi.org/10.1063/1.472643
The influence of multiple scattering processes on the electron mobility in low density methanol gas
J. Chem. Phys. 105, 8633–8638 (1996)
https://doi.org/10.1063/1.472610
Diabatic approach to the close‐coupling wave packet method in reactive scattering
J. Chem. Phys. 105, 8639–8652 (1996)
https://doi.org/10.1063/1.472645
Born–Oppenheimer type separation in the study of the dynamics: Application to photodetachment of ClHCl− and ClDCl−
J. Chem. Phys. 105, 8653–8660 (1996)
https://doi.org/10.1063/1.472646
Further study on collisional quantum interference effect in energy transfer within CO singlet–triplet mixed states
J. Chem. Phys. 105, 8661–8665 (1996)
https://doi.org/10.1063/1.472647
Vibrational frequency shift of HF in helium clusters: Quantum simulation and experiment
J. Chem. Phys. 105, 8666–8683 (1996)
https://doi.org/10.1063/1.472648
Performance of a time‐independent scattering wave packet technique using real operators and wave functions
J. Chem. Phys. 105, 8690–8698 (1996)
https://doi.org/10.1063/1.472650
Effect of location of energy barrier on the product alignment of reaction A+BC
J. Chem. Phys. 105, 8699–8704 (1996)
https://doi.org/10.1063/1.472651
Shell structure and shapes of fermion microsystems: A comparative study of 3He and Na clusters
J. Chem. Phys. 105, 8734–8740 (1996)
https://doi.org/10.1063/1.472630
Ionization energies of anthracene, phenanthrene, and naphthacene
J. Chem. Phys. 105, 8748–8753 (1996)
https://doi.org/10.1063/1.472654
Global three‐dimensional potential energy surfaces of H2S from the ab initio effective valence shell Hamiltonian method
J. Chem. Phys. 105, 8754–8768 (1996)
https://doi.org/10.1063/1.472735
The symmetry breaking problem in the triflouride anion: A multireference approach
J. Chem. Phys. 105, 8777–8784 (1996)
https://doi.org/10.1063/1.472656
A theoretical study of the valence‐ and dipole‐bound states of the nitromethane anion
J. Chem. Phys. 105, 8785–8792 (1996)
https://doi.org/10.1063/1.472657
Nuclear magnetic resonance spin–spin coupling constants from density functional theory: Problems and results
J. Chem. Phys. 105, 8793–8800 (1996)
https://doi.org/10.1063/1.472658
Asymptotic solution and numerical simulation of homogeneous condensation in expansion cloud chambers
J. Chem. Phys. 105, 8804–8821 (1996)
https://doi.org/10.1063/1.472631
Dynamics of the displacement of CO from Cu(111) by H atoms incident from the gas phase
J. Chem. Phys. 105, 8842–8848 (1996)
https://doi.org/10.1063/1.472613
Site‐specific fragmentation in condensed (CH3S)2 by sulfur K‐edge photoexcitation
J. Chem. Phys. 105, 8858–8864 (1996)
https://doi.org/10.1063/1.472615
Bulk and interfacial thermodynamics of a symmetric, ternary homopolymer–copolymer mixture: A Monte Carlo study
J. Chem. Phys. 105, 8885–8901 (1996)
https://doi.org/10.1063/1.472618
Kinetics of morphological transition in Polystyrene–block‐ polybutadiene–block‐polystyrene triblock copolymer melt
J. Chem. Phys. 105, 8902–8908 (1996)
https://doi.org/10.1063/1.472619
Recursive density‐matrix‐spectral‐moment algorithm for molecular nonlinear polarizabilities
J. Chem. Phys. 105, 8914–8928 (1996)
https://doi.org/10.1063/1.472621
Large scale Monte Carlo simulations of center‐adsorbed star polymers
J. Chem. Phys. 105, 8929–8936 (1996)
https://doi.org/10.1063/1.472622
Hydrogen abstraction from methane by Li doped MgO: A periodic quantum mechanical study
J. Chem. Phys. 105, 8937–8943 (1996)
https://doi.org/10.1063/1.472623
An improved perturbation approach to the 2D Edwards polymer: Corrections to scaling
J. Chem. Phys. 105, 8951–8957 (1996)
https://doi.org/10.1063/1.472625
Low‐field expressions for reversing‐pulse electric birefringence of ionized polyions with permanent, ionic, and electronic dipole moments: A further extension of the ion‐fluctuation theory and the application to poly(α,L‐glutamic acid)
J. Chem. Phys. 105, 8958–8964 (1996)
https://doi.org/10.1063/1.472733
Experimental study of the O–H ring vibrations of the methanol trimer
J. Chem. Phys. 105, 8965–8968 (1996)
https://doi.org/10.1063/1.472626
A linear scaling method for Hartree–Fock exchange calculations of large molecules
J. Chem. Phys. 105, 8969–8972 (1996)
https://doi.org/10.1063/1.472627
Vibrational relaxation of a polyatomic solute in a polyatomic supercritical fluid near the critical point
J. Chem. Phys. 105, 8973–8976 (1996)
https://doi.org/10.1063/1.472628
Characterization of CH stretches on diamond C(111) single‐ and nanocrystal surfaces by infrared absorption spectroscopy
J. Chem. Phys. 105, 8977–8978 (1996)
https://doi.org/10.1063/1.472938
Comment on ‘‘The effect of charged impurities on a glass transition in a polar medium’’ [J. Chem. Phys. 104, 664 (1996)]
J. Chem. Phys. 105, 8979–8980 (1996)
https://doi.org/10.1063/1.472734
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.
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.