Showing results (921-930 of 53,001) with videos related to
Sort By:
Pageof 5,301
The Journal of Chemical Physics|July 24, 2017
A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical ensembles via molecular dynamicsZhijun Zhang, Xinzijian Liu, Zifei Chen, et al.The Journal of Chemical Physics|July 24, 2017
Cage model of polar fluids: Finite cage inertia generalizationW T Coffey, M Zarifakis, Y P Kalmykov, et al.The Journal of Chemical Physics|July 24, 2017
Extension of the D3 dispersion coefficient modelEike Caldeweyher, Christoph Bannwarth, Stefan GrimmeThe Journal of Chemical Physics|July 24, 2017
Communication: Light driven remote control of microgels' size in the presence of photosensitive surfactant: Complete phase diagramSelina Schimka, Yulia D Gordievskaya, Nino Lomadze, et al.The Journal of Chemical Physics|July 24, 2017
Common behaviors associated with the glass transitions of water-like modelsR Horstmann, M VogelThe Journal of Chemical Physics|July 24, 2017
Estimating the intrinsic limit of the Feller-Peterson-Dixon composite approach when applied to adiabatic ionization potentials in atoms and small moleculesDavid FellerThe Journal of Chemical Physics|July 24, 2017
Nonequilibrium phase coexistence and criticality near the second explosion limit of hydrogen combustionLucas B Newcomb, Mohammad Alaghemandi, Jason R GreenThe Journal of Chemical Physics|July 24, 2017
Potential energy surfaces of quintet and singlet O4Yuliya Paukku, Ke R Yang, Zoltan Varga, et al.The Journal of Chemical Physics|July 24, 2017
Analytical derivatives of the individual state energies in ensemble density functional theory method. I. General formalismMichael Filatov, Fang Liu, Todd J MartínezThe Journal of Chemical Physics|July 24, 2017
Exploring the free energy gain of phase separation via Markov state modelingMyra Biedermann, Andreas HeuerPageof 5,301