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The Journal of Chemical Physics|May 10, 2013
A general moment expansion method for stochastic kinetic modelsAngelique Ale, Paul Kirk, Michael P H StumpfThe Journal of Chemical Physics|May 10, 2013
Excitation energy transfer efficiency: equivalence of transient and stationary setting and the absence of non-Markovian effectsSimon Jesenko, Marko ŽnidaričThe Journal of Chemical Physics|May 10, 2013
A linear- and sublinear-scaling method for calculating NMR shieldings in atomic orbital-based second-order Møller-Plesset perturbation theoryMarina Maurer, Christian OchsenfeldThe Journal of Chemical Physics|May 10, 2013
A nonempirical scaling correction approach for density functional methods involving substantial amount of Hartree-Fock exchangeXiao Zheng, Ting Zhou, Weitao YangThe Journal of Chemical Physics|May 10, 2013
Hierarchical Nyström methods for constructing Markov state models for conformational dynamicsYuan Yao, Raymond Z Cui, Gregory R Bowman, et al.The Journal of Chemical Physics|May 10, 2013
A comparison model between density functional and wave function theories by means of the Löwdin partitioning techniqueMarc Caballero, Ibério de P R Moreira, Josep Maria BofillThe Journal of Chemical Physics|May 10, 2013
Computational IR spectroscopy of water: OH stretch frequencies, transition dipoles, and intermolecular vibrational coupling constantsJun-Ho Choi, Minhaeng ChoThe Journal of Chemical Physics|May 10, 2013
A simplified representation of anisotropic charge distributions within proteinsTravis HoppeThe Journal of Chemical Physics|May 10, 2013
Delocalized Davydov D1 Ansatz for the Holstein polaronJin Sun, Liwei Duan, Yang ZhaoThe Journal of Chemical Physics|May 10, 2013
Quantum critical point of spin-boson model and infrared catastrophe in bosonic bathHang Zheng, Zhiguo LüPageof 5,313