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Issues
8 February 2002
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
Fractional dynamics approach to diffusion-assisted reactions in disordered media
J. Chem. Phys. 116, 2338–2341 (2002)
https://doi.org/10.1063/1.1448294
ARTICLES
Theoretical Methods and Algorithms
Use of thermodynamic integration to calculate the hydration free energies of -alkanes
J. Chem. Phys. 116, 2361–2369 (2002)
https://doi.org/10.1063/1.1431588
Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry
Bend–stretch Fermi resonance in
J. Chem. Phys. 116, 2370–2378 (2002)
https://doi.org/10.1063/1.1433506
The intermolecular potential energy surface of the cationic complex
J. Chem. Phys. 116, 2395–2399 (2002)
https://doi.org/10.1063/1.1433507
Infrared resonance-enhanced multiphoton ionization spectroscopy of magnesium oxide clusters
J. Chem. Phys. 116, 2400–2406 (2002)
https://doi.org/10.1063/1.1432999
The molecular properties of chlorosyl fluoride, FClO, as determined from the ground-state rotational spectrum
J. Chem. Phys. 116, 2407–2416 (2002)
https://doi.org/10.1063/1.1433002
Hydrogen bonding and protonation in acid–base complexes: Methanesulfonic acid-pyridine
J. Chem. Phys. 116, 2417–2424 (2002)
https://doi.org/10.1063/1.1431579
Control of molecular handedness using pump-dump laser pulses
J. Chem. Phys. 116, 2433–2438 (2002)
https://doi.org/10.1063/1.1432996
Isotope effects in the electron impact ionization of and near threshold
J. Chem. Phys. 116, 2456–2463 (2002)
https://doi.org/10.1063/1.1428341
Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation
Viscosity dependence of geminate recombination efficiency after bimolecular charge separation
J. Chem. Phys. 116, 2472–2479 (2002)
https://doi.org/10.1063/1.1433746
Enthalpy and entropy contributions to the pressure dependence of hydrophobic interactions
J. Chem. Phys. 116, 2480–2486 (2002)
https://doi.org/10.1063/1.1431582
Translational diffusion and reorientational relaxation of water analyzed by site–site generalized Langevin theory
J. Chem. Phys. 116, 2502–2507 (2002)
https://doi.org/10.1063/1.1435569
Qualitative dynamics of generalized Langevin equations and the theory of chemical reaction rates
J. Chem. Phys. 116, 2516–2528 (2002)
https://doi.org/10.1063/1.1436116
Transport coefficients at metastable densities from models of generalized hydrodynamics
J. Chem. Phys. 116, 2529–2535 (2002)
https://doi.org/10.1063/1.1434998
Formation of nanoclusters under radiation pressure in solution: A Brownian dynamics simulation study
J. Chem. Phys. 116, 2556–2564 (2002)
https://doi.org/10.1063/1.1436121
Observations on an equation of state for water confined in narrow slit-pores
J. Chem. Phys. 116, 2565–2571 (2002)
https://doi.org/10.1063/1.1432318
Transient absorption of vibrationally excited water
J. Chem. Phys. 116, 2592–2598 (2002)
https://doi.org/10.1063/1.1432687
Surfaces, Interfaces, and Materials
Kinetic model for Eley–Rideal and hot atom reactions between H atoms on metal surfaces
J. Chem. Phys. 116, 2599–2608 (2002)
https://doi.org/10.1063/1.1432962
Evaluation of the small-angle x-ray scattering of carbons using parametrization methods
J. Chem. Phys. 116, 2618–2627 (2002)
https://doi.org/10.1063/1.1433463
Hydrogen defects in Forsterite: A test case for the embedded cluster method
J. Chem. Phys. 116, 2628–2635 (2002)
https://doi.org/10.1063/1.1433465
Polymers, Biopolymers, and Complex Systems
Collapse of Lennard-Jones homopolymers: Size effects and energy landscapes
J. Chem. Phys. 116, 2642–2649 (2002)
https://doi.org/10.1063/1.1435572
Concentrated colloidal dispersions: On the relation of rheology with small angle x-ray and neutron scattering
J. Chem. Phys. 116, 2658–2662 (2002)
https://doi.org/10.1063/1.1431283
LETTERS TO THE EDITOR
Notes
Molecular dynamics simulations of water wires in a lipid bilayer and water/octane model systems
J. Chem. Phys. 116, 2663–2664 (2002)
https://doi.org/10.1063/1.1434952
Comments
Comment on “Anti-cooperativity in hydrophobic interactions: A simulation study of spatial dependence of three-body effects and beyond” [J. Chem. Phys. 115, 1414 (2001)]
Cezary Czaplewski; Sylwia Rodziewicz-Motowidło; Adam Liwo; Daniel R. Ripoll; Ryszard J. Wawak; Harold A. Scheraga
J. Chem. Phys. 116, 2665–2667 (2002)
https://doi.org/10.1063/1.1434994
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.