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Issues
28 November 2011
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
Communication: Partial linearized density matrix dynamics for dissipative, non-adiabatic quantum evolution
J. Chem. Phys. 135, 201101 (2011)
https://doi.org/10.1063/1.3664763
Communication: Superatom molecular orbitals: New types of long-lived electronic states
J. Chem. Phys. 135, 201103 (2011)
https://doi.org/10.1063/1.3665089
ARTICLES
Theoretical Methods and Algorithms
Collapse transition of a square-lattice polymer with next nearest-neighbor interaction
J. Chem. Phys. 135, 204102 (2011)
https://doi.org/10.1063/1.3663712
A method for analyzing the vibrational energy flow in biomolecules in solution
J. Chem. Phys. 135, 204106 (2011)
https://doi.org/10.1063/1.3663707
Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry
Photoelectron spectroscopic study of iron-pyrene cluster anions
J. Chem. Phys. 135, 204301 (2011)
https://doi.org/10.1063/1.3661984
Extracting elements of molecular structure from the all-particle wave function
J. Chem. Phys. 135, 204302 (2011)
https://doi.org/10.1063/1.3662487
Laser induced and controlled chemical reaction of carbon monoxide and hydrogen
J. Chem. Phys. 135, 204303 (2011)
https://doi.org/10.1063/1.3662129
The excitation function for Li + HF → LiF + H at collision energies below 80 meV
J. Chem. Phys. 135, 204306 (2011)
https://doi.org/10.1063/1.3664303
Photoelectron spectroscopy of HC4N−
Kristen M. Vogelhuber; Scott W. Wren; Christopher J. Shaffer; Robert J. McMahon; Anne B. McCoy; W. Carl Lineberger
J. Chem. Phys. 135, 204307 (2011)
https://doi.org/10.1063/1.3663617
Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation
Oscillatory and stationary convective patterns in a reaction driven gravity current
J. Chem. Phys. 135, 204501 (2011)
https://doi.org/10.1063/1.3658855
Two-dimensional infrared spectral signature and hydration of the oxalate dianion
J. Chem. Phys. 135, 204502 (2011)
https://doi.org/10.1063/1.3658461
Hydrogenation of fragment cations produced by femtosecond laser ablation of boron nitride
J. Chem. Phys. 135, 204504 (2011)
https://doi.org/10.1063/1.3662138
Charge ordering and intermediate range order in ammonium ionic liquids
J. Chem. Phys. 135, 204506 (2011)
https://doi.org/10.1063/1.3662062
Pressure effects on the transitions between disordered phases in supercooled liquid silicon
J. Chem. Phys. 135, 204508 (2011)
https://doi.org/10.1063/1.3663387
Molecular dynamics simulation of pressure-driven water flow in silicon-carbide nanotubes
J. Chem. Phys. 135, 204509 (2011)
https://doi.org/10.1063/1.3663620
Surfaces, Interfaces, and Materials
Molecular simulation of interaction between passivated gold nanoparticles in supercritical CO2
J. Chem. Phys. 135, 204703 (2011)
https://doi.org/10.1063/1.3661982
A universal gauge for thermal conductivity of silicon nanowires with different cross sectional geometries
J. Chem. Phys. 135, 204705 (2011)
https://doi.org/10.1063/1.3663386
Adsorption and dissociation of NO on Ir(100): A first-principles study
J. Chem. Phys. 135, 204707 (2011)
https://doi.org/10.1063/1.3663621
Polymers and Complex Systems
Simulation of heterogeneous end-coupling reactions in polydisperse polymer blends
J. Chem. Phys. 135, 204904 (2011)
https://doi.org/10.1063/1.3663614
Biological Molecules, Biopolymers, and Biological Systems
Amyloid-β peptide structure in aqueous solution varies with fragment size
J. Chem. Phys. 135, 205101 (2011)
https://doi.org/10.1063/1.3662490
Moving beyond Watson–Crick models of coarse grained DNA dynamics
J. Chem. Phys. 135, 205102 (2011)
https://doi.org/10.1063/1.3662137
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.
GPAW: An open Python package for electronic structure calculations
Jens Jørgen Mortensen, Ask Hjorth Larsen, et al.