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Issues
21 April 2013
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
Communication: Collective dynamics of room-temperature ionic liquids and their Li ion solutions studied by high-resolution inelastic X-ray scattering
Kenta Fujii; Mitsuhiro Shibayama; Tsuyoshi Yamaguchi; Koji Yoshida; Toshio Yamaguchi; Shiro Seki; Hiroshi Uchiyama; Alfred Q. R. Baron; Yasuhiro Umebayashi
J. Chem. Phys. 138, 151101 (2013)
https://doi.org/10.1063/1.4802768
Communication: Fullerene resolution by the magnetic circular dichroism
J. Chem. Phys. 138, 151103 (2013)
https://doi.org/10.1063/1.4802763
ARTICLES
Theoretical Methods and Algorithms
Diffusive spatio-temporal noise in a first-passage time model for intracellular calcium release
J. Chem. Phys. 138, 154103 (2013)
https://doi.org/10.1063/1.4796417
Calculation of non-adiabatic coupling vectors in a local-orbital basis set
J. Chem. Phys. 138, 154106 (2013)
https://doi.org/10.1063/1.4801511
Bending rigidities of surfactant bilayers using self-consistent field theory
J. Chem. Phys. 138, 154109 (2013)
https://doi.org/10.1063/1.4801327
Advanced Experimental Techniques
Nonlinear femtosecond laser induced scanning tunneling microscopy
J. Chem. Phys. 138, 154202 (2013)
https://doi.org/10.1063/1.4800965
Atoms, Molecules, and Clusters
A global potential energy surface for the H2 + OH ↔ H2O + H reaction using neural networks
J. Chem. Phys. 138, 154301 (2013)
https://doi.org/10.1063/1.4801658
Isotope effect in the photochemical decomposition of CO2 (ice) by Lyman-α radiation
J. Chem. Phys. 138, 154302 (2013)
https://doi.org/10.1063/1.4800929
Lyman-α photodesorption from CO2(ice) at 75 K: Role of CO2 vibrational relaxation on desorption rate
J. Chem. Phys. 138, 154303 (2013)
https://doi.org/10.1063/1.4800943
Fourier-transform spectroscopy and description of low-lying energy levels in the B(1)1Π state of RbCs
J. Chem. Phys. 138, 154304 (2013)
https://doi.org/10.1063/1.4801323
Electronic spectroscopy and electronic structure of diatomic IrSi
J. Chem. Phys. 138, 154306 (2013)
https://doi.org/10.1063/1.4801328
Polarization momentum transfer collision: Faxen-Holtzmark theory and quantum dynamic shielding
J. Chem. Phys. 138, 154307 (2013)
https://doi.org/10.1063/1.4801788
Liquids, Glasses, and Crystals
Secondary relaxation processes in binary glass formers: Emergence of “islands of rigidity”
J. Chem. Phys. 138, 154501 (2013)
https://doi.org/10.1063/1.4798655
Effects of electric field on the entropy, viscosity, relaxation time, and glass-formation
J. Chem. Phys. 138, 154503 (2013)
https://doi.org/10.1063/1.4799268
Phase diagram of octapod-shaped nanocrystals in a quasi-two-dimensional planar geometry
J. Chem. Phys. 138, 154504 (2013)
https://doi.org/10.1063/1.4799269
Isomorph invariance of Couette shear flows simulated by the SLLOD equations of motion
J. Chem. Phys. 138, 154505 (2013)
https://doi.org/10.1063/1.4799273
Surfaces, Interfaces, and Materials
The vapor-liquid interface potential of (multi)polar fluids and its influence on ion solvation
J. Chem. Phys. 138, 154702 (2013)
https://doi.org/10.1063/1.4799938
Quantum chemical elucidation of the mechanism for hydrogenation of TiO2 anatase crystals
J. Chem. Phys. 138, 154705 (2013)
https://doi.org/10.1063/1.4799800
Theoretical description of X-ray absorption spectroscopy of the graphene-metal interfaces
J. Chem. Phys. 138, 154706 (2013)
https://doi.org/10.1063/1.4801501
Large negative differential resistance and rectifying behaviors in isolated thiophene nanowire devices
J. Chem. Phys. 138, 154707 (2013)
https://doi.org/10.1063/1.4801439
Photoemission spectroscopy study of the lanthanum lutetium oxide/silicon interface
A. Nichau; M. Schnee; J. Schubert; A. Besmehn; J. Rubio-Zuazo; U. Breuer; P. Bernardy; B. Holländer; A. Mücklich; G. R. Castro; J. von Borany; D. Buca; S. Mantl
J. Chem. Phys. 138, 154709 (2013)
https://doi.org/10.1063/1.4801324
Investigating the molecule-substrate interaction of prototypic tetrapyrrole compounds: Adsorption and self-metalation of porphine on Cu(111)
K. Diller; F. Klappenberger; F. Allegretti; A. C. Papageorgiou; S. Fischer; A. Wiengarten; S. Joshi; K. Seufert; D. Écija; W. Auwärter; J. V. Barth
J. Chem. Phys. 138, 154710 (2013)
https://doi.org/10.1063/1.4800771
Polymers and Soft Matter
Crystal structure and charge transport properties of poly(arylene-ethynylene) derivatives: A DFT approach
J. Chem. Phys. 138, 154902 (2013)
https://doi.org/10.1063/1.4800769
Binary colloidal mixtures in a potential barrier: Demixing due to depletion
J. Chem. Phys. 138, 154903 (2013)
https://doi.org/10.1063/1.4801333
Inducement by directional fields of rotational and translational phase ordering in polymer liquid-crystals
J. Chem. Phys. 138, 154904 (2013)
https://doi.org/10.1063/1.4798462
Biological Molecules and Networks
α-helix to β-hairpin transition of human amylin monomer
J. Chem. Phys. 138, 155101 (2013)
https://doi.org/10.1063/1.4798460
LETTERS TO THE EDITOR
Comments
Errata
A theory of pitch for the hydrodynamic properties of molecules, helices, and achiral swimmers at low Reynolds number
Anderson D. S. Duraes, J. Daniel Gezelter
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
Electronic structure simulations in the cloud computing environment
Eric J. Bylaska, Ajay Panyala, et al.