Skip Nav Destination
Issues
15 June 2004
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
Three-dimensional orientational colocalization of individual donor–acceptor pairs
J. Chem. Phys. 120, 10867–10870 (2004)
https://doi.org/10.1063/1.1760492
Silver nanoparticle array structures that produce remarkably narrow plasmon lineshapes
J. Chem. Phys. 120, 10871–10875 (2004)
https://doi.org/10.1063/1.1760740
Single-ensemble nonequilibrium path-sampling estimates of free energy differences
J. Chem. Phys. 120, 10876–10879 (2004)
https://doi.org/10.1063/1.1760511
ARTICLES
Theoretical Methods and Algorithms
A hybrid scheme for the resolution-of-the-identity approximation in second-order Møller–Plesset linear- perturbation theory
J. Chem. Phys. 120, 10890–10895 (2004)
https://doi.org/10.1063/1.1742904
The hardness profile as a tool to detect spurious stationary points in the potential energy surface
J. Chem. Phys. 120, 10914–10924 (2004)
https://doi.org/10.1063/1.1742793
Optimized Jastrow–Slater wave functions for ground and excited states: Application to the lowest states of ethene
J. Chem. Phys. 120, 10931–10941 (2004)
https://doi.org/10.1063/1.1752881
Calculation of the 𝓐 term of magnetic circular dichroism based on time dependent-density functional theory I. Formulation and implementation
Michael Seth; Tom Ziegler; Arup Banerjee; Jochen Autschbach; Stan J. A. van Gisbergen; Evert J. Baerends
J. Chem. Phys. 120, 10942–10954 (2004)
https://doi.org/10.1063/1.1747828
Implementing quantum gates on oriented optical isomers
J. Chem. Phys. 120, 10955–10960 (2004)
https://doi.org/10.1063/1.1739403
A Bohmian total potential view to quantum effects. I. Methodology and simple model systems
J. Chem. Phys. 120, 10961–10971 (2004)
https://doi.org/10.1063/1.1747869
Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry
On the valence shell electronic spectroscopy of 2-vinyl furan
A. Giuliani; I. C. Walker; J. Delwiche; S. V. Hoffmann; C. Kech; P. Limão-Vieira; N. J. Mason; M.-J. Hubin-Franskin
J. Chem. Phys. 120, 10972–10982 (2004)
https://doi.org/10.1063/1.1738642
Dynamics of photodissociation of ethylene and its isotopomers at 157 nm: Branching ratios and kinetic-energy distributions
J. Chem. Phys. 120, 10983–10991 (2004)
https://doi.org/10.1063/1.1740711
Dynamics of photodissociation of 3,3,3--propene at 157 nm: Site effect and hydrogen migration
J. Chem. Phys. 120, 10992–10999 (2004)
https://doi.org/10.1063/1.1747812
Photoinduced dynamics of ethene in the and valence states: A six-dimensional nonadiabatic quantum dynamics investigation
J. Chem. Phys. 120, 11000–11010 (2004)
https://doi.org/10.1063/1.1740696
Combined perturbative-variational investigation of the vibrations of and
J. Chem. Phys. 120, 11011–11025 (2004)
https://doi.org/10.1063/1.1738643
Above the surface multifragmentation of surface scattered fullerenes
J. Chem. Phys. 120, 11026–11030 (2004)
https://doi.org/10.1063/1.1739397
A high-resolution pulsed field ionization-photoelectron-photoion coincidence study of vinyl bromide
J. Chem. Phys. 120, 11031–11041 (2004)
https://doi.org/10.1063/1.1739402
Photodissociation and multiphoton dissociative ionization processes in at 193 nm studied using velocity-map imaging
J. Chem. Phys. 120, 11042–11052 (2004)
https://doi.org/10.1063/1.1742732
Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation
Isotope effects associated with tunneling and double proton transfer in the hydrogen bonds of benzoic acid
J. Chem. Phys. 120, 11107–11119 (2004)
https://doi.org/10.1063/1.1738644
Surfaces, Interfaces, and Materials
Irreversible adsorption of particles at random-site surfaces
J. Chem. Phys. 120, 11155–11162 (2004)
https://doi.org/10.1063/1.1712967
Solvent-induced microphase separation in diblock copolymer thin films with reversibly switchable morphology
J. Chem. Phys. 120, 11163–11170 (2004)
https://doi.org/10.1063/1.1751177
Oscillatory wetting instability induced by liquid–liquid decomposition in a Ga–Pb alloy
J. Chem. Phys. 120, 11171–11182 (2004)
https://doi.org/10.1063/1.1737306
Excitation migration in trimeric cyanobacterial photosystem I
J. Chem. Phys. 120, 11183–11195 (2004)
https://doi.org/10.1063/1.1739400
Determination of low-pressure crystalline–liquid phase boundary of
Kazuhiro Fuchizaki; Yasuhiko Fujii; Yasuo Ohishi; Ayako Ohmura; Nozomu Hamaya; Yoshinori Katayama; Taku Okada
J. Chem. Phys. 120, 11196–11199 (2004)
https://doi.org/10.1063/1.1751397
Monte Carlo simulation for the formation of a mixed crystal from two solids in contact
J. Chem. Phys. 120, 11200–11208 (2004)
https://doi.org/10.1063/1.1737300
Electron-nuclear correlations for photo-induced dynamics in molecular dimers
J. Chem. Phys. 120, 11209–11223 (2004)
https://doi.org/10.1063/1.1737304
Interfacial properties of the nanostructured dye-sensitized solid heterojunction
P. G. Karlsson; S. Bolik; J. H. Richter; B. Mahrov; E. M. J. Johansson; J. Blomquist; P. Uvdal; H. Rensmo; H. Siegbahn; A. Sandell
J. Chem. Phys. 120, 11224–11232 (2004)
https://doi.org/10.1063/1.1739399
Polymers, Biopolymers, and Complex Systems
In search of temporal power laws in the orientational relaxation near isotropic–nematic phase transition in model nematogens
J. Chem. Phys. 120, 11256–11266 (2004)
https://doi.org/10.1063/1.1742942
Freezing and folding behavior in simple off-lattice heteropolymers
J. Chem. Phys. 120, 11285–11291 (2004)
https://doi.org/10.1063/1.1740750
Folding behavior of model proteins with weak energetic frustration
J. Chem. Phys. 120, 11292–11303 (2004)
https://doi.org/10.1063/1.1751394
Simulation of the effects of chain architecture on the sorption of ethylene in polyethylene
J. Chem. Phys. 120, 11304–11315 (2004)
https://doi.org/10.1063/1.1751178
LETTERS TO THE EDITOR
Notes
Nuclear magnetic resonance study of self-diffusion in liquid crystals
J. Chem. Phys. 120, 11327–11329 (2004)
https://doi.org/10.1063/1.1751395
Nonadiabatic transition in the dissociation process from inner valence states of
J. Chem. Phys. 120, 11330–11332 (2004)
https://doi.org/10.1063/1.1689631
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.
Light–matter interaction at the nano- and molecular scale
Kaifeng Wu, Chufeng Zhang, et al.