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Issues
21 September 2012
ISSN 0021-9606
EISSN 1089-7690
COMMUNICATIONS
ARTICLES
Theoretical Methods and Algorithms
Comparison of the performance of exact-exchange-based density functional methods
J. Chem. Phys. 137, 114104 (2012)
https://doi.org/10.1063/1.4752396
Vibrational multi-reference coupled cluster theory in bosonic representation
J. Chem. Phys. 137, 114108 (2012)
https://doi.org/10.1063/1.4753422
The virial theorem for the smoothly and sharply, penetrably and impenetrably confined hydrogen atom
J. Chem. Phys. 137, 114109 (2012)
https://doi.org/10.1063/1.4753424
Variational fractional-spin density-functional theory for diradicals
J. Chem. Phys. 137, 114112 (2012)
https://doi.org/10.1063/1.4749242
Advanced Experimental Techniques
Atoms, Molecules, and Clusters
Vibrational effects on valence electron momentum distributions of ethylene
J. Chem. Phys. 137, 114301 (2012)
https://doi.org/10.1063/1.4752653
Fine and hyperfine excitation of NH and ND by He: On the importance of calculating rate coefficients of isotopologues
Fabien Dumouchel; Jacek Kłos; Robert Toboła; Aurore Bacmann; Sébastien Maret; Pierre Hily-Blant; Alexandre Faure; François Lique
J. Chem. Phys. 137, 114306 (2012)
https://doi.org/10.1063/1.4753423
Liquids, Glasses, and Crystals
Effect of trimethylamine-N-oxide on pressure-induced dissolution of hydrophobic solute
J. Chem. Phys. 137, 114503 (2012)
https://doi.org/10.1063/1.4752104
Structure and short-time dynamics in concentrated suspensions of charged colloids
J. Chem. Phys. 137, 114504 (2012)
https://doi.org/10.1063/1.4751544
Ultrafast spherulitic crystal growth as a stress-induced phenomenon specific of fragile glass-formers
J. Chem. Phys. 137, 114506 (2012)
https://doi.org/10.1063/1.4753976
Self-diffusion and activity coefficients of ions in charged disordered media
J. Chem. Phys. 137, 114507 (2012)
https://doi.org/10.1063/1.4752111
Comprehensive studies of the electronic structure of pristine and potassium doped chrysene investigated by electron energy-loss spectroscopy
Friedrich Roth; Benjamin Mahns; Ronny Schönfelder; Silke Hampel; Markus Nohr; Bernd Büchner; Martin Knupfer
J. Chem. Phys. 137, 114508 (2012)
https://doi.org/10.1063/1.4753999
Hydration properties of small hydrophobic molecules by Brillouin light scattering
J. Chem. Phys. 137, 114509 (2012)
https://doi.org/10.1063/1.4752732
Dynamics of two-dimensional monolayer water confined in hydrophobic and charged environments
J. Chem. Phys. 137, 114510 (2012)
https://doi.org/10.1063/1.4751545
Surfaces, Interfaces, and Materials
Energy transfer in finite-size exciton-phonon systems: Confinement-enhanced quantum decoherence
J. Chem. Phys. 137, 114702 (2012)
https://doi.org/10.1063/1.4753969
Microphase separations of the fluids with spherically symmetric competing interactions
J. Chem. Phys. 137, 114703 (2012)
https://doi.org/10.1063/1.4754022
Electromagnetic fluctuation-induced interactions in randomly charged slabs
J. Chem. Phys. 137, 114704 (2012)
https://doi.org/10.1063/1.4752248
The structure of ionic aqueous solutions at interfaces: An intrinsic structure analysis
J. Chem. Phys. 137, 114706 (2012)
https://doi.org/10.1063/1.4753986
Origin of enhanced water adsorption at step edge on rutile TiO2(110) surface
J. Chem. Phys. 137, 114707 (2012)
https://doi.org/10.1063/1.4753951
Surface tension and phase coexistence for fluids of molecules with extended dipoles
J. Chem. Phys. 137, 114708 (2012)
https://doi.org/10.1063/1.4754125
Effect of dispersion correction on the Au(1 1 1)-H2O interface: A first-principles study
J. Chem. Phys. 137, 114709 (2012)
https://doi.org/10.1063/1.4752235
Polymers and Soft Matter
Monte Carlo simulations of charge transport in organic systems with true off-diagonal disorder
J. Chem. Phys. 137, 114901 (2012)
https://doi.org/10.1063/1.4748796
Unexpected crossover dynamics of single polymer in a corrugated tube
J. Chem. Phys. 137, 114902 (2012)
https://doi.org/10.1063/1.4752767
Crossover time in relative fluctuations characterizes the longest relaxation time of entangled polymers
J. Chem. Phys. 137, 114903 (2012)
https://doi.org/10.1063/1.4752768
Biological Molecules and Networks
HP-sequence design for lattice proteins—An exact enumeration study on diamond as well as square lattice
J. Chem. Phys. 137, 115102 (2012)
https://doi.org/10.1063/1.4752479
Absolute cross sections for vibrational excitations of cytosine by low energy electron impact
J. Chem. Phys. 137, 115103 (2012)
https://doi.org/10.1063/1.4752655
LETTERS TO THE EDITOR
Notes
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.