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Issues
1 May 2001
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
Length scale of dynamic heterogeneity in supercooled glycerol near
J. Chem. Phys. 114, 7299–7302 (2001)
https://doi.org/10.1063/1.1369160
ARTICLES
Theoretical Methods and Algorithms
Accuracy of free-energy perturbation calculations in molecular simulation. I. Modeling
J. Chem. Phys. 114, 7303–7311 (2001)
https://doi.org/10.1063/1.1359181
Quantum partition functions from classical distributions: Application to rare-gas clusters
J. Chem. Phys. 114, 7312–7329 (2001)
https://doi.org/10.1063/1.1359768
Fourth order gradient symplectic integrator methods for solving the time-dependent Schrödinger equation
J. Chem. Phys. 114, 7338–7341 (2001)
https://doi.org/10.1063/1.1362288
Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry
High resolution absorption spectrum of between 75 000 and 104 000 cm−1
J. Chem. Phys. 114, 7368–7378 (2001)
https://doi.org/10.1063/1.1363671
Observation of collision induced state-to-state energy transfer in electronically and highly rotationally excited
J. Chem. Phys. 114, 7379–7387 (2001)
https://doi.org/10.1063/1.1359243
The electronic structure of and from anion photoelectron spectroscopy and ab initio calculations
J. Chem. Phys. 114, 7388–7395 (2001)
https://doi.org/10.1063/1.1362289
The infrared-ultraviolet dispersed fluorescence spectrum of acetylene: New classes of bright states
J. Chem. Phys. 114, 7424–7442 (2001)
https://doi.org/10.1063/1.1333006
Ab initio electronic structure of and dipole-bound anions and a description of electron loss upon tautomerization
J. Chem. Phys. 114, 7443–7449 (2001)
https://doi.org/10.1063/1.1358863
A quantum and semiclassical study of dynamical resonances in the reaction
J. Chem. Phys. 114, 7461–7470 (2001)
https://doi.org/10.1063/1.1349083
Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation
Structure and electronic properties of carbon onions
J. Chem. Phys. 114, 7477–7482 (2001)
https://doi.org/10.1063/1.1360197
Reliability theory for receptor–ligand bond dissociation
J. Chem. Phys. 114, 7483–7496 (2001)
https://doi.org/10.1063/1.1356030
A molecular approach to quantum fluids based on a generalized Ornstein–Zernike integral equation
J. Chem. Phys. 114, 7497–7505 (2001)
https://doi.org/10.1063/1.1359480
The cooling rate dependence of crystallization for liquid copper: A molecular dynamics study
J. Chem. Phys. 114, 7506–7512 (2001)
https://doi.org/10.1063/1.1362292
Dynamics of the water-catalyzed phototautomerization of 7-azaindole
J. Chem. Phys. 114, 7518–7526 (2001)
https://doi.org/10.1063/1.1361073
The hydrophobic hydration of methane as a function of temperature from histogram reweighting Monte Carlo simulations
J. Chem. Phys. 114, 7527–7535 (2001)
https://doi.org/10.1063/1.1352645
Picosecond time-resolved resonance Raman observation of the and photoproducts from the “photoisomerization” reactions of in the solution phase
Wai Ming Kwok; Chensheng Ma; Anthony W. Parker; David Phillips; Michael Towrie; Pavel Matousek; Xuming Zheng; David Lee Phillips
J. Chem. Phys. 114, 7536–7543 (2001)
https://doi.org/10.1063/1.1362178
Conductivity of deionized two-component colloidal suspensions
J. Chem. Phys. 114, 7556–7562 (2001)
https://doi.org/10.1063/1.1355770
Surfaces, Interfaces, and Materials
Random sequential adsorption and diffusion of dimers and k-mers on a square lattice
J. Chem. Phys. 114, 7563–7569 (2001)
https://doi.org/10.1063/1.1359740
Vibrational de-excitation of during collisions with a Cu(100) surface
J. Chem. Phys. 114, 7581–7592 (2001)
https://doi.org/10.1063/1.1359738
Adsorption state of dimethyl disulfide on Au(111): Evidence for adsorption as thiolate at the bridge site
J. Chem. Phys. 114, 7615–7621 (2001)
https://doi.org/10.1063/1.1360245
Polymers, Biopolymers, and Complex Systems
A statistical model for the length distribution of meshes in a polymer network
J. Chem. Phys. 114, 7627–7632 (2001)
https://doi.org/10.1063/1.1363675
Coupled-perturbed Hartree–Fock theory for infinite periodic systems: Calculation of static electric properties of and
J. Chem. Phys. 114, 7633–7643 (2001)
https://doi.org/10.1063/1.1356019
Phase behavior of monomeric mixtures and polymer solutions with soft interaction potentials
J. Chem. Phys. 114, 7644–7654 (2001)
https://doi.org/10.1063/1.1362298
A three-dimensional statistical mechanical model of folding double-stranded chain molecules
J. Chem. Phys. 114, 7669–7681 (2001)
https://doi.org/10.1063/1.1363670
Multilayer adsorption model for the protein–ligand interaction
J. Chem. Phys. 114, 7682–7687 (2001)
https://doi.org/10.1063/1.1362291
Polyelectrolytes tethered to a similarly charged surface
J. Chem. Phys. 114, 7700–7712 (2001)
https://doi.org/10.1063/1.1360244
LETTERS TO THE EDITOR
Errata
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.