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The Journal of Chemical Physics|July 9, 2016
(1)H and (19)F spin-lattice relaxation and CH3 or CF3 reorientation in molecular solids containing both H and F atomsPeter A Beckmann, Arnold L RheingoldThe Journal of Chemical Physics|July 9, 2016
Tuning dissociation using isoelectronically doped graphene and hexagonal boron nitride: Water and other small moleculesYasmine S Al-Hamdani, Dario Alfè, O Anatole von Lilienfeld, et al.The Journal of Chemical Physics|July 9, 2016
Fast equilibration protocol for million atom systems of highly entangled linear polyethylene chainsYelena R Sliozberg, Martin Kröger, Tanya L ChantawansriThe Journal of Chemical Physics|July 9, 2016
Static and dynamic properties of large polymer melts in equilibriumHsiao-Ping Hsu, Kurt KremerThe Journal of Chemical Physics|July 11, 2016
Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithmsGarnet Kin-Lic Chan, Anna Keselman, Naoki Nakatani, et al.The Journal of Chemical Physics|July 11, 2016
Improved scaling of temperature-accelerated dynamics using localizationYunsic Shim, Jacques G AmarThe Journal of Chemical Physics|July 11, 2016
First principles prediction of amorphous phases using evolutionary algorithmsSuhas Nahas, Anshu Gaur, Somnath BhowmickThe Journal of Chemical Physics|July 11, 2016
Long-lived coherence in pentafluorobenzene as a probe of ππ(*) - πσ(*) vibronic couplingO Hüter, M Sala, H Neumann, et al.The Journal of Chemical Physics|July 11, 2016
Infrared absorption of t-HOCO(+), H(+)(CO2)2, and HCO2 (-) produced in electron bombardment of CO2 in solid para-H2Prasanta Das, Masashi Tsuge, Yuan-Pern LeeThe Journal of Chemical Physics|July 11, 2016
Molecular dynamics simulation of a binary mixture near the lower critical pointFaezeh Pousaneh, Olle Edholm, Anna MaciołekPageof 5,301