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The Journal of Chemical Physics|February 24, 2019
Power functional theory for active Brownian particles: General formulation and power sum rulesPhilip Krinninger, Matthias Schmidt
The Journal of Chemical Physics|February 24, 2019
Size-selected anion photoelectron spectroscopy and density functional theory study of MnCn -/0 (n = 3-10): Odd-even alternation and linear-cyclic structure competitionXi-Ling Xu, Bin Yang, Chao-Jiang Zhang, et al.
The Journal of Chemical Physics|February 24, 2019
Non-equilibrium Green's function theory for non-adiabatic effects in quantum transport: Inclusion of electron-electron interactionsVincent F Kershaw, Daniel S Kosov
The Journal of Chemical Physics|February 24, 2019
Vertical valence ionization potential benchmarks from equation-of-motion coupled cluster theory and QTP functionalsDuminda S Ranasinghe, Johannes T Margraf, Ajith Perera, et al.
The Journal of Chemical Physics|February 24, 2019
An accelerated united-atom molecular dynamics simulation on the fast crystallization of ring polyethylene meltsKatsumi Hagita, Susumu Fujiwara, Nobuyuki Iwaoka
The Journal of Chemical Physics|February 24, 2019
Charge transfer effect on Raman shifts of aromatic hydrocarbons with three phenyl rings from ab initio studyChun-Fang Zhang, Zhong-Bing Huang, Xun-Wang Yan, et al.
The Journal of Chemical Physics|February 24, 2019
Stochastic simulation of anharmonic dissipation. II. Harmonic bath potentials with quadratic couplingsYun-An Yan
The Journal of Chemical Physics|February 24, 2019
Kinetic pathway analysis of an α-helix in two protonation states: Direct observation and optimal dimensionality reductionGouri S Jas, Ed W Childs, Krzysztof Kuczera
The Journal of Chemical Physics|February 17, 2019
Conical intersections and nonadiabatic coupling terms in 1,3,5-C6H3F3 +: A six state beyond Born-Oppenheimer treatmentSoumya Mukherjee, Joy Dutta, Bijit Mukherjee, et al.
The Journal of Chemical Physics|February 17, 2019
Analysis of electrical double layer structure in molten saltsJacek Kłos, Stanisław Lamperski
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