The colloidal force of bead-spring chains in a good solvent

JOURNAL ARTICLE published 22 April 2005 in The Journal of Chemical Physics

Authors: John D. McCoy | John G. Curro

Virtual interface substructure synthesis method for normal mode analysis of super-large molecular complexes at atomic resolution

JOURNAL ARTICLE published 14 October 2011 in The Journal of Chemical Physics

Research funded by National Natural Science Foundation of China (30870509)

Authors: Xuehui Chen | Yunxiang Sun | Xiongbo An | Dengming Ming

Surface hopping outperforms secular Redfield theory when reorganization energies range from small to moderate (and nuclei are classical)

JOURNAL ARTICLE published 14 March 2015 in The Journal of Chemical Physics

Research funded by Air Force Office of Scientific Research (FA9950-13-1-0157)

Authors: Brian R. Landry | Joseph E. Subotnik

Phthalocyanine adsorption to graphene on Ir(111): Evidence for decoupling from vibrational spectroscopy

JOURNAL ARTICLE published 14 November 2014 in The Journal of Chemical Physics

Research funded by Conselho Nacional de Desenvolvimento Científico e Tecnológico (Ciência sem Fronteiras)

Authors: M. Endlich | S. Gozdzik | N. Néel | A. L. da Rosa | T. Frauenheim | T. O. Wehling | J. Kröger

Charge transfer excitations from excited state Hartree-Fock subsequent minimization scheme

JOURNAL ARTICLE published 28 April 2014 in The Journal of Chemical Physics

Authors: Iris Theophilou | M. Tassi | S. Thanos

Dynamics of proton migration and dissociation in core-excited ethyne probed by multiple ion momentum imaging

JOURNAL ARTICLE published 28 December 2009 in The Journal of Chemical Physics

Authors: J. Laksman | D. Céolin | M. Gisselbrecht | S. E. Canton | S. L. Sorensen

Configurational probabilities for symmetric dimers on a lattice: An analytical approximation with exact limits at low and high densities

JOURNAL ARTICLE published 7 October 2007 in The Journal of Chemical Physics

Authors: Y. Chen | G. L. Aranovich | M. D. Donohue

Unidirectional coherent energy transport via conjugated oligo(p-phenylene) chains

JOURNAL ARTICLE published 7 April 2021 in The Journal of Chemical Physics

Research funded by National Science Foundation (CHE-1900568)

Authors: Tammy X. Leong | Layla N. Qasim | Robert T. Mackin | Yuchen Du | Robert A. Pascal | Igor V. Rubtsov

Breakdown of the ionization potential theorem of density functional theory in mesoscopic systems

JOURNAL ARTICLE published 21 November 2021 in The Journal of Chemical Physics

Research funded by Russian Foundation for Basic Research (21-52-52007)

Authors: Vladimir U. Nazarov

On-the-fly analysis of molecular dynamics simulation trajectories of proteins using the Bayesian inference method

JOURNAL ARTICLE published 28 September 2017 in The Journal of Chemical Physics

Research funded by Japan Society for the Promotion of Science (JP15H01360,JP15K07037,JP17K00421,JP17K05620,JP26105012) | Japan Science and Technology Agency (JPMJCR14M3)

Authors: Naoyuki Miyashita | Yasushige Yonezawa

On simulation of local fluxes in molecular junctions

JOURNAL ARTICLE published 28 May 2018 in The Journal of Chemical Physics

Research funded by National Science Foundation (CHE-1565939) | U.S. Department of Energy (DE-SC0018201)

Authors: Gabriel Cabra | Anders Jensen | Michael Galperin

Nonequilibrium dynamics of photoinduced forward and backward electron transfer reactions

JOURNAL ARTICLE published 14 February 2020 in The Journal of Chemical Physics

Research funded by National Science Foundation (CHE1412033) | National Institutes of Health (GM118332)

Authors: Yangyi Lu | Dongping Zhong

Semiclassical Wigner theory of photodissociation in three dimensions: Shedding light on its basis

JOURNAL ARTICLE published 7 April 2015 in The Journal of Chemical Physics

Research funded by COST Action (CM1002) | Spanish Ministerio de Ciencia e Innovacion (FIS2011-29596-C02-01)

Authors: W. Arbelo-González | L. Bonnet | A. García-Vela

Modelling the effect of acoustic waves on the thermodynamics and kinetics of phase transformation in a solution: Including mass transportation

JOURNAL ARTICLE published 14 January 2018 in The Journal of Chemical Physics

Research funded by RCUK | Engineering and Physical Sciences Research Council (EP/I031480/1)

Authors: S. R. Haqshenas | I. J. Ford | N. Saffari

Transient interfacial tension and dilatational rheology of diffuse polymer-polymer interfaces

JOURNAL ARTICLE published 8 March 2005 in The Journal of Chemical Physics

Authors: Gerrit W. M. Peters | Alexander N. Zdravkov | Han E. H. Meijer

Simulation of DNA motion in a microchannel using stochastic rotation dynamics

JOURNAL ARTICLE published 7 March 2007 in The Journal of Chemical Physics

Authors: Nobuhiko Watari | Masato Makino | Norio Kikuchi | Ronald G. Larson | Masao Doi

Properties of Coulomb crystals: Rigorous results

JOURNAL ARTICLE published 28 April 2008 in The Journal of Chemical Physics

Authors: Jerzy Cioslowski

Self-assembly on multiple length scales: A Monte Carlo algorithm with data augmentation

JOURNAL ARTICLE published 8 January 2005 in The Journal of Chemical Physics

Authors: Alessandro Troisi | Vance Wong | Mark A. Ratner

Erratum: “The calculation of multidimensional semiclassical wave functions in the forbidden region using real valued coordinates” [J. Chem. Phys. 133, 114108 (2010)]

JOURNAL ARTICLE published 28 February 2011 in The Journal of Chemical Physics

Research funded by National Science Foundation (CHE-0715333)

Authors: Michael F. Herman

Developing a coarse-grained force field for the diblock copolymer poly(styrene-b-butadiene) from atomistic simulation

JOURNAL ARTICLE published 28 May 2006 in The Journal of Chemical Physics

Authors: Xuejin Li | Dazhi Kou | Shuling Rao | Haojun Liang