Skip Nav Destination
Issues
21 August 2014
ISSN 0021-9606
EISSN 1089-7690
COMMUNICATIONS
Communication: Optimal parameters for basin-hopping global optimization based on Tsallis statistics
J. Chem. Phys. 141, 071101 (2014)
https://doi.org/10.1063/1.4893344
Communication: Nanoscale ion fluctuations in Nafion polymer electrolyte
J. Chem. Phys. 141, 071102 (2014)
https://doi.org/10.1063/1.4892875
Communication: Superstabilization of fluids in nanocontainers
J. Chem. Phys. 141, 071103 (2014)
https://doi.org/10.1063/1.4893701
ARTICLES
Theoretical Methods and Algorithms
Optimizing the performance of the entropic splitter for particle separation
J. Chem. Phys. 141, 074104 (2014)
https://doi.org/10.1063/1.4892615
Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods
J. Chem. Phys. 141, 074105 (2014)
https://doi.org/10.1063/1.4892060
Non-oscillatory flux correlation functions for efficient nonadiabatic rate theory
J. Chem. Phys. 141, 074106 (2014)
https://doi.org/10.1063/1.4892865
Frequency-domain stimulated and spontaneous light emission signals at molecular junctions
J. Chem. Phys. 141, 074107 (2014)
https://doi.org/10.1063/1.4892108
Wertheim and Bjerrum-Tani-Henderson theories for associating fluids: A critical assessment
J. Chem. Phys. 141, 074108 (2014)
https://doi.org/10.1063/1.4892878
Bézier curve string method for the study of rare events in complex chemical systems
J. Chem. Phys. 141, 074110 (2014)
https://doi.org/10.1063/1.4893216
Atoms, Molecules, and Clusters
Velocity-changing collisions in pure H2 and H2-Ar mixture
J. Chem. Phys. 141, 074301 (2014)
https://doi.org/10.1063/1.4892414
UV absorption spectrum of the C2 Criegee intermediate CH3CHOO
J. Chem. Phys. 141, 074302 (2014)
https://doi.org/10.1063/1.4892582
Electronic structures and water reactivity of mixed metal sulfide cluster anions
J. Chem. Phys. 141, 074305 (2014)
https://doi.org/10.1063/1.4892671
Guanidine and guanidinium cation in the excited state—theoretical investigation
J. Chem. Phys. 141, 074307 (2014)
https://doi.org/10.1063/1.4892569
Imaging of hydrogen halides photochemistry on argon and ice nanoparticles
J. Chem. Phys. 141, 074309 (2014)
https://doi.org/10.1063/1.4892585
Rotational mode specificity in the Cl + CHD3 → HCl + CD3 reaction
J. Chem. Phys. 141, 074310 (2014)
https://doi.org/10.1063/1.4892598
Low-temperature collisional quenching of NO A2Σ+(v′ = 0) by NO(X2Π) and O2 between 34 and 109 K
J. Chem. Phys. 141, 074313 (2014)
https://doi.org/10.1063/1.4892980
An experimental and theoretical investigation into the excited electronic states of phenol
D. B. Jones; G. B. da Silva; R. F. C. Neves; H. V. Duque; L. Chiari; E. M. de Oliveira; M. C. A. Lopes; R. F. da Costa; M. T. do N. Varella; M. H. F. Bettega; M. A. P. Lima; M. J. Brunger
J. Chem. Phys. 141, 074314 (2014)
https://doi.org/10.1063/1.4893116
Intermolecular polarizabilities in H2-rare-gas mixtures (H2–He, Ne, Ar, Kr, Xe): Insight from collisional isotropic spectral properties
Waldemar Głaz; Tadeusz Bancewicz; Jean-Luc Godet; Magnus Gustafsson; George Maroulis; Anastasios Haskopoulos
J. Chem. Phys. 141, 074315 (2014)
https://doi.org/10.1063/1.4892864
Liquids, Glasses, and Crystals
Behavior of supercooled aqueous solutions stemming from hidden liquid–liquid transition in water
J. Chem. Phys. 141, 074504 (2014)
https://doi.org/10.1063/1.4892972
Surfaces, Interfaces, and Materials
Effect of cation species on surface-induced phase transition observed for platinum complex anions in platinum electrodeposition using nanoporous silicon
Ryo Koda; Akira Koyama; Kazuhiro Fukami; Naoya Nishi; Tetsuo Sakka; Takeshi Abe; Atsushi Kitada; Kuniaki Murase; Masahiro Kinoshita
J. Chem. Phys. 141, 074701 (2014)
https://doi.org/10.1063/1.4892596
Water permeability of nanoporous graphene at realistic pressures for reverse osmosis desalination
J. Chem. Phys. 141, 074704 (2014)
https://doi.org/10.1063/1.4892638
Microscopic theory of singlet exciton fission. III. Crystalline pentacene
J. Chem. Phys. 141, 074705 (2014)
https://doi.org/10.1063/1.4892793
Rare event molecular dynamics simulations of plasma induced surface ablation
J. Chem. Phys. 141, 074706 (2014)
https://doi.org/10.1063/1.4892841
First-principles studies on graphene-supported transition metal clusters
J. Chem. Phys. 141, 074707 (2014)
https://doi.org/10.1063/1.4893328
Critical properties of the Ziff, Gulari, and Barshad (ZGB) model with inert sites
J. Chem. Phys. 141, 074709 (2014)
https://doi.org/10.1063/1.4892421
Contact angle hysteresis on superhydrophobic stripes
J. Chem. Phys. 141, 074710 (2014)
https://doi.org/10.1063/1.4892801
Polymers and Soft Matter
Disjoining pressure of an electrolyte film confined between semipermeable membranes
J. Chem. Phys. 141, 074902 (2014)
https://doi.org/10.1063/1.4892758
Biological Molecules and Networks
Fluctuating hydrodynamics of multicomponent membranes with embedded proteins
J. Chem. Phys. 141, 075103 (2014)
https://doi.org/10.1063/1.4892802
LETTERS TO THE EDITOR
Errata
Publisher's Note: “High pressure study of molecular dynamics of protic ionic liquid lidocaine hydrochloride” [J. Chem. Phys. 136, 224501 (2012)]
A. Swiety-Pospiech; Z. Wojnarowska; J. Pionteck; S. Pawlus; A. Grzybowski; S. Hensel-Bielowka; K. Grzybowska; A. Szulc; M. Paluch
J. Chem. Phys. 141, 079901 (2014)
https://doi.org/10.1063/1.4893303
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.
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.