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Issues
14 August 2009
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
Propagation lengths of surface plasmon polaritons on metal films with arrays of subwavelength holes by infrared imaging spectroscopy
Katherine E. Cilwa; Kenneth R. Rodriguez; Joseph M. Heer; Marvin A. Malone; Lloyd D. Corwin; James V. Coe
J. Chem. Phys. 131, 061101 (2009)
https://doi.org/10.1063/1.3204693
Cis-trans switchable metallosupramolecular polymers: Computer modeling
J. Chem. Phys. 131, 061102 (2009)
https://doi.org/10.1063/1.3187937
ARTICLES
Theoretical Methods and Algorithms
Time-reversible molecular dynamics algorithms with bond constraints
J. Chem. Phys. 131, 064102 (2009)
https://doi.org/10.1063/1.3194785
Construction of basis sets for time-dependent studies
J. Chem. Phys. 131, 064104 (2009)
https://doi.org/10.1063/1.3202442
On the use of shifted Jacobi polynomials in accurate evaluation of roots and weights of Rys polynomials
J. Chem. Phys. 131, 064107 (2009)
https://doi.org/10.1063/1.3204437
Efficient exact and -skip methods for stochastic simulation of coupled chemical reactions
J. Chem. Phys. 131, 064108 (2009)
https://doi.org/10.1063/1.3204422
Analytic gradients for the state-specific multireference coupled cluster singles and doubles model
J. Chem. Phys. 131, 064109 (2009)
https://doi.org/10.1063/1.3204017
Optimizing the hyperpolarizability tensor using external electromagnetic fields and nuclear placement
J. Chem. Phys. 131, 064110 (2009)
https://doi.org/10.1063/1.3205309
Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry
The Stark effect in Rydberg states of a highly polar diatomic molecule: CaF
J. Chem. Phys. 131, 064301 (2009)
https://doi.org/10.1063/1.3179942
A model Hamiltonian to simulate the complex photochemistry of benzene II
J. Chem. Phys. 131, 064303 (2009)
https://doi.org/10.1063/1.3197555
Photoelectron spectroscopy of small cluster anions
J. Chem. Phys. 131, 064304 (2009)
https://doi.org/10.1063/1.3200941
Gas phase electronic spectrum of T-shaped radical
J. Chem. Phys. 131, 064305 (2009)
https://doi.org/10.1063/1.3186758
A systematic search for minimum structures of small gold clusters and their electronic properties
J. Chem. Phys. 131, 064306 (2009)
https://doi.org/10.1063/1.3204488
and radical-molecule van der Waals complex
J. Chem. Phys. 131, 064307 (2009)
https://doi.org/10.1063/1.3204980
Influence of the carrier gas molar mass on the particle formation in a vapor phase
J. Chem. Phys. 131, 064308 (2009)
https://doi.org/10.1063/1.3204780
Quantum-state selection, alignment, and orientation of large molecules using static electric and laser fields
Frank Filsinger; Jochen Küpper; Gerard Meijer; Lotte Holmegaard; Jens H. Nielsen; Iftach Nevo; Jonas L. Hansen; Henrik Stapelfeldt
J. Chem. Phys. 131, 064309 (2009)
https://doi.org/10.1063/1.3194287
Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation
Semiquantum molecular dynamics simulation of liquid water by time-dependent Hartree approach
J. Chem. Phys. 131, 064501 (2009)
https://doi.org/10.1063/1.3200937
Is there a common orientational order for the liquid phase of tetrahedral molecules?
J. Chem. Phys. 131, 064502 (2009)
https://doi.org/10.1063/1.3204467
Shock-induced melting of (100)-oriented nitromethane: Structural relaxation
J. Chem. Phys. 131, 064503 (2009)
https://doi.org/10.1063/1.3202441
Electron-nuclear double resonance study of molecular librations of nitroxides in molecular glasses: Quantum effects at low temperatures, comparison with low-frequency Raman scattering
L. V. Kulik; L. L. Rapatsky; A. V. Pivtsov; N. V. Surovtsev; S. V. Adichtchev; I. A. Grigor’ev; S. A. Dzuba
J. Chem. Phys. 131, 064505 (2009)
https://doi.org/10.1063/1.3206909
Surfaces, Interfaces, and Materials
Interaction between silver nanowires and CO on a stepped platinum surface
R. Streber; B. Tränkenschuh; J. Schöck; C. Papp; H.-P. Steinrück; J.-S. McEwen; P. Gaspard; R. Denecke
J. Chem. Phys. 131, 064702 (2009)
https://doi.org/10.1063/1.3190201
Dynamics of water adsorption on : A molecular dynamics study
J. Chem. Phys. 131, 064703 (2009)
https://doi.org/10.1063/1.3204700
Epoxide reduction with hydrazine on graphene: A first principles study
J. Chem. Phys. 131, 064704 (2009)
https://doi.org/10.1063/1.3197007
Morphology of oxide films on Ru(0001) studied by scanning tunneling microscopy
J. Chem. Phys. 131, 064705 (2009)
https://doi.org/10.1063/1.3182855
Polymers and Complex Systems
A finite excluded volume bond-fluctuation model: Static properties of dense polymer melts revisited
J. Chem. Phys. 131, 064901 (2009)
https://doi.org/10.1063/1.3197008
Stability of and crystal structures in binary mixtures of hard and charged spheres
J. Chem. Phys. 131, 064902 (2009)
https://doi.org/10.1063/1.3182724
How proteins squeeze through polymer networks: A Cartesian lattice study
J. Chem. Phys. 131, 064905 (2009)
https://doi.org/10.1063/1.3205100
Biological Molecules, Biopolymers, and Biological Systems
Further analysis and comparative study of intermolecular interactions using dimers from the S22 database
J. Chem. Phys. 131, 065102 (2009)
https://doi.org/10.1063/1.3173809
Force induced unfolding of biopolymers in a cellular environment: A model study
J. Chem. Phys. 131, 065103 (2009)
https://doi.org/10.1063/1.3197010
Role of conformational dynamics in kinetics of an enzymatic cycle in a nonequilibrium steady state
J. Chem. Phys. 131, 065104 (2009)
https://doi.org/10.1063/1.3207274
Understanding protein folding cooperativity based on topological consideration
J. Chem. Phys. 131, 065105 (2009)
https://doi.org/10.1063/1.3200952
LETTERS TO THE EDITOR
Notes
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.