Skip Nav Destination
Issues
28 August 2012
ISSN 0021-9606
EISSN 1089-7690
PERSPECTIVES
COMMUNICATIONS
Communication: Thermal rectification in liquids by manipulating the solid-liquid interface
J. Chem. Phys. 137, 081101 (2012)
https://doi.org/10.1063/1.4749288
ARTICLES
Theoretical Methods and Algorithms
Variational approach for nonpolar solvation analysis
J. Chem. Phys. 137, 084101 (2012)
https://doi.org/10.1063/1.4745084
Towards a minimal stochastic model for a large class of diffusion-reactions on biological membranes
J. Chem. Phys. 137, 084103 (2012)
https://doi.org/10.1063/1.4746692
Single-molecule stochastic times in a reversible bimolecular reaction
J. Chem. Phys. 137, 084106 (2012)
https://doi.org/10.1063/1.4747337
Population and coherence dynamics in light harvesting complex II (LH2)
J. Chem. Phys. 137, 084110 (2012)
https://doi.org/10.1063/1.4747622
Vibronic coupling in asymmetric bichromophores: Theory and application to diphenylmethane
J. Chem. Phys. 137, 084112 (2012)
https://doi.org/10.1063/1.4747336
Multibody local approximation: Application to conformational entropy calculations on biomolecules
J. Chem. Phys. 137, 084115 (2012)
https://doi.org/10.1063/1.4748104
Atoms, Molecules, and Clusters
Overtone vibrational spectroscopy in H2-H2O complexes: A combined high level theoretical ab initio, dynamical and experimental study
Michael P. Ziemkiewicz; Christian Pluetzer; David J. Nesbitt; Yohann Scribano; Alexandre Faure; Ad van der Avoird
J. Chem. Phys. 137, 084301 (2012)
https://doi.org/10.1063/1.4732581
Effects of classical nonlinear resonances in grazing diatom-surface collisions
J. Chem. Phys. 137, 084302 (2012)
https://doi.org/10.1063/1.4746689
The J = 2 ortho levels of the v = 0 to 6 np singlet Rydberg series of molecular hydrogen revisited
J. Chem. Phys. 137, 084303 (2012)
https://doi.org/10.1063/1.4742311
Intermolecular vibrations of fluorobenzene-Ar up to 130 cm−1 in the ground electronic state
J. Chem. Phys. 137, 084305 (2012)
https://doi.org/10.1063/1.4746688
Synchrotron far infrared spectroscopy of the ground, ν5, and ν15 states of thiirane
J. Chem. Phys. 137, 084306 (2012)
https://doi.org/10.1063/1.4747191
Ionization and Coulomb explosion of small group 10 transition metal oxide clusters in strong light fields
J. Chem. Phys. 137, 084307 (2012)
https://doi.org/10.1063/1.4748139
Dynamic polarizabilities of Zn and Cd and dispersion coefficients involving group 12 atoms
J. Chem. Phys. 137, 084309 (2012)
https://doi.org/10.1063/1.4746155
Mass-analyzed threshold ionization and structural isomers of M3O4 (M = Sc, Y, and La)
J. Chem. Phys. 137, 084312 (2012)
https://doi.org/10.1063/1.4747530
Photoelectron spectroscopic study of the E ⊗ e Jahn-Teller effect in the presence of a tunable spin-orbit interaction. III. Two-state excitonic model accounting for observed trends in the |$\tilde{\rm X}^{\,2}{\rm {E}}$| ground state of |$\rm {CH}_3\rm {X}^+\,(\rm {X}=\rm {F,\,Cl,\,Br,\,I})$| and |$\rm {CH}_3\rm {Y}\,(\rm {Y}=\rm {O,\,S})$|
J. Chem. Phys. 137, 084313 (2012)
https://doi.org/10.1063/1.4745002
Cooperative and substitution effects in enhancing strengths of halogen bonds in FCl⋯CNX complexes
J. Chem. Phys. 137, 084314 (2012)
https://doi.org/10.1063/1.4748264
Understanding of nonlinear optical properties of CS2 from a microscopic viewpoint
J. Chem. Phys. 137, 084315 (2012)
https://doi.org/10.1063/1.4748261
Charge transfer excited state energies by perturbative delta self consistent field method
J. Chem. Phys. 137, 084316 (2012)
https://doi.org/10.1063/1.4739269
Charge transfer excitations in cofacial fullerene-porphyrin complexes
J. Chem. Phys. 137, 084317 (2012)
https://doi.org/10.1063/1.4739272
Liquids, Glasses, and Crystals
Microscopic models of mode-coupling theory: The |$\hbox{\sf{\bfseries{F}}}_{12}$| scenario
J. Chem. Phys. 137, 084501 (2012)
https://doi.org/10.1063/1.4746695
Dielectric spectroscopy and ultrasonic study of propylene carbonate under ultra-high pressures
J. Chem. Phys. 137, 084502 (2012)
https://doi.org/10.1063/1.4746022
Systematic coarse-graining of potential energy landscapes and dynamics in liquids
J. Chem. Phys. 137, 084503 (2012)
https://doi.org/10.1063/1.4746391
Diffusion enhancement in core-softened fluid confined in nanotubes
J. Chem. Phys. 137, 084504 (2012)
https://doi.org/10.1063/1.4746748
First principles molecular dynamics study of filled ice hydrogen hydrate
J. Chem. Phys. 137, 084505 (2012)
https://doi.org/10.1063/1.4746776
Effect of soot microstructure on its ozonization reactivity
J. Chem. Phys. 137, 084507 (2012)
https://doi.org/10.1063/1.4747190
Concentration studies of collision-induced fundamental absorption of hydrogen dissolved in liquid neon
J. Chem. Phys. 137, 084509 (2012)
https://doi.org/10.1063/1.4747192
Surfaces, Interfaces, and Materials
Vapor-liquid phase coexistence and transport properties of two-dimensional oligomers
J. Chem. Phys. 137, 084701 (2012)
https://doi.org/10.1063/1.4747195
Molecular layers of ZnPc and FePc on Au(111) surface: Charge transfer and chemical interaction
J. Chem. Phys. 137, 084705 (2012)
https://doi.org/10.1063/1.4746119
Vapor-liquid interfacial properties of rigid-linear Lennard-Jones chains
J. Chem. Phys. 137, 084706 (2012)
https://doi.org/10.1063/1.4746120
Polymers and Soft Matter
Self-organization of amphiphilic macromolecules with local helix structure in concentrated solutions
J. Chem. Phys. 137, 084901 (2012)
https://doi.org/10.1063/1.4745480
Component dynamics in polyvinylpyrrolidone concentrated aqueous solutions
J. Chem. Phys. 137, 084902 (2012)
https://doi.org/10.1063/1.4746020
Tuning effective interactions close to the critical point in colloidal suspensions
J. Chem. Phys. 137, 084903 (2012)
https://doi.org/10.1063/1.4745479
Molecular mass dependence of point-to-set correlation length scale in polymers
J. Chem. Phys. 137, 084904 (2012)
https://doi.org/10.1063/1.4745481
Phase behavior of colloids and proteins in aqueous suspensions: Theory and computer simulations
J. Chem. Phys. 137, 084905 (2012)
https://doi.org/10.1063/1.4747193
Broadside mobility of a disk in a viscous fluid near a plane wall with no-slip boundary condition
J. Chem. Phys. 137, 084906 (2012)
https://doi.org/10.1063/1.4746987
Biological Molecules and Networks
Influence of non-universal effects on dynamical scaling in driven polymer translocation
J. Chem. Phys. 137, 085101 (2012)
https://doi.org/10.1063/1.4742188
Robustness of atomistic Gō models in predicting native-like folding intermediates
J. Chem. Phys. 137, 085102 (2012)
https://doi.org/10.1063/1.4747492