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Issues
8 October 2002
ISSN 0021-9606
EISSN 1089-7690
In this Issue
ARTICLES
Theoretical Methods and Algorithms
Self-consistent nonperturbative theory: Application to a two-dimensional square-well system
J. Chem. Phys. 117, 6389–6401 (2002)
https://doi.org/10.1063/1.1505863
Ab initio study of magnetochiral birefringence
J. Chem. Phys. 117, 6417–6428 (2002)
https://doi.org/10.1063/1.1504706
Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry
Quantum optimal control of unbounded molecular dynamics: Application to NaI predissociation
J. Chem. Phys. 117, 6429–6438 (2002)
https://doi.org/10.1063/1.1504701
Ab initio predictions of the spectroscopic parameters of the silicon halomethylidyne (Si=C–X; X=F,Cl,Br) free radicals
J. Chem. Phys. 117, 6439–6445 (2002)
https://doi.org/10.1063/1.1506682
State-to-state differential cross sections for spin–multiplet-changing collisions of with argon
J. Chem. Phys. 117, 6455–6462 (2002)
https://doi.org/10.1063/1.1505440
Exploring the potential surface via dissociative photodetachment of
J. Chem. Phys. 117, 6478–6488 (2002)
https://doi.org/10.1063/1.1505439
Gas phase infrared spectroscopy of cluster anions as a function of size: The effect of solvation on hydrogen-bonding in clusters
Nicholas L. Pivonka; Cristina Kaposta; Gert von Helden; Gerard Meijer; Ludger Wöste; Daniel M. Neumark; Knut R. Asmis
J. Chem. Phys. 117, 6493–6499 (2002)
https://doi.org/10.1063/1.1506308
Theoretical investigation on the reaction involving resonance-enhanced multiphoton ionization process
J. Chem. Phys. 117, 6519–6523 (2002)
https://doi.org/10.1063/1.1506917
A core-level photoionization study of furan
J. Chem. Phys. 117, 6524–6532 (2002)
https://doi.org/10.1063/1.1504435
Ionized and excited states of ferrocene: Symmetry adapted cluster–configuration–interaction study
J. Chem. Phys. 117, 6533–6537 (2002)
https://doi.org/10.1063/1.1504709
High-resolution infrared spectra of the C-H asymmetric stretch vibration of jet-cooled methoxy radical
J. Chem. Phys. 117, 6538–6545 (2002)
https://doi.org/10.1063/1.1507116
Nonresonant two-photon mass analyzed threshold ionization and zero kinetic energy photoelectron investigation of the ground state of and
Shiliang Wang; Yujun Shi; Zygmunt J. Jakubek; Michael Barnett; Benoit Simard; Klaus Müller-Dethlefs; Ching-Ping Liu; Yuan-Pern Lee
J. Chem. Phys. 117, 6546–6555 (2002)
https://doi.org/10.1063/1.1506157
Semiclassical calculation of collisional dissociation cross sections for
J. Chem. Phys. 117, 6556–6561 (2002)
https://doi.org/10.1063/1.1504085
Rovibrational structure of the Ar–CO complex based on a novel three-dimensional ab initio potential
J. Chem. Phys. 117, 6562–6572 (2002)
https://doi.org/10.1063/1.1493180
Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation
Dynamics in supercooled polyalcohols: Primary and secondary relaxation
J. Chem. Phys. 117, 6582–6589 (2002)
https://doi.org/10.1063/1.1506147
Perturbed hard-body fluid analysis of the global effects of solvation on conformational thermodynamics
J. Chem. Phys. 117, 6590–6598 (2002)
https://doi.org/10.1063/1.1505024
Rotational energy relaxation of polar diatomic molecules diluted in simple liquids
J. Chem. Phys. 117, 6599–6606 (2002)
https://doi.org/10.1063/1.1505864
Denucleation rates during Ostwald ripening: Distribution kinetics of unstable clusters
J. Chem. Phys. 117, 6607–6613 (2002)
https://doi.org/10.1063/1.1506148
Computer simulations of the dynamics of doubly occupied clathrate hydrates
J. Chem. Phys. 117, 6637–6645 (2002)
https://doi.org/10.1063/1.1502645
Surfaces, Interfaces, and Materials
Signatures of site-specific reaction of on Cu(100)
J. Chem. Phys. 117, 6673–6687 (2002)
https://doi.org/10.1063/1.1506141
Nanoscopic interchain aggregate domain formation in conjugated polymer films studied by third harmonic generation near-field scanning optical microscopy
Richard D. Schaller; Preston T. Snee; Justin C. Johnson; Lynn F. Lee; Kevin R. Wilson; Louis H. Haber; Richard J. Saykally; Thuc-Quyen Nguyen; Benjamin J. Schwartz
J. Chem. Phys. 117, 6688–6698 (2002)
https://doi.org/10.1063/1.1499479
Quasiwetting and morphological phase transitions in confined far-from-equilibrium magnetic thin films
J. Chem. Phys. 117, 6699–6704 (2002)
https://doi.org/10.1063/1.1511725
Surface control of optical properties in silicon nanoclusters
J. Chem. Phys. 117, 6721–6729 (2002)
https://doi.org/10.1063/1.1504707
Atomic and molecular adsorption on Rh(111)
J. Chem. Phys. 117, 6737–6744 (2002)
https://doi.org/10.1063/1.1507104
Effects of quenched impurities on surface diffusion, spreading, and ordering of O/W(110)
J. Chem. Phys. 117, 6757–6765 (2002)
https://doi.org/10.1063/1.1505856
Coupled ion–interface dynamics and ion transfer across the interface of two immiscible liquids
J. Chem. Phys. 117, 6766–6779 (2002)
https://doi.org/10.1063/1.1505862
Anomalous inverse absorption features in the far-infrared RAIRS spectra of on thin-film surfaces
J. Chem. Phys. 117, 6780–6788 (2002)
https://doi.org/10.1063/1.1506142
Polymers, Biopolymers, and Complex Systems
Inter-peptide interaction and delocalization of amide I vibrational excitons in myoglobin and flavodoxin
J. Chem. Phys. 117, 6821–6832 (2002)
https://doi.org/10.1063/1.1504438
Equilibrium polymerization of cyclic carbonate oligomers. III. Chain branching and the gel transition
J. Chem. Phys. 117, 6841–6851 (2002)
https://doi.org/10.1063/1.1505023
Brownian dynamics studies on DNA gel electrophoresis. II. “Defect” dynamics in the elongation-contraction motion
J. Chem. Phys. 117, 6873–6879 (2002)
https://doi.org/10.1063/1.1505868
LETTERS TO THE EDITOR
Errata
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.