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The Journal of Chemical Physics|July 10, 2010
Fragile-to-strong transition in metallic glass-forming liquidsChunzhi Zhang, Lina Hu, Yuanzheng Yue, et al.The Journal of Chemical Physics|July 10, 2010
Electronic effects of single H atoms on Ge(001) revisitedG A Shah, M W Radny, P V Smith, et al.The Journal of Chemical Physics|July 10, 2010
Interaction between physical aging, deformation, and segmental mobility in poly(methyl methacrylate) glassesHau-Nan Lee, M D EdigerThe Journal of Chemical Physics|July 2, 2010
Weak antiferromagnetic coupling in molecular ring is predicted correctly by density functional theory plus Hubbard UShruba Gangopadhyay, Artëm E Masunov, Eliza Poalelungi, et al.The Journal of Chemical Physics|July 2, 2010
Nonequilibrium numerical model of homogeneous condensation in argon and water vapor expansionsRyan Jansen, Ingrid Wysong, Sergey Gimelshein, et al.The Journal of Chemical Physics|July 2, 2010
Calculation of the first static hyperpolarizability tensor of three-dimensional periodic compounds with a local basis set: A comparison of LDA, PBE, PBE0, B3LYP, and HF resultsRoberto Orlando, Valentina Lacivita, Radovan Bast, et al.The Journal of Chemical Physics|July 2, 2010
Efficient evaluation of the Coulomb force in the Gaussian and finite-element Coulomb methodYuki Kurashige, Takahito Nakajima, Takeshi Sato, et al.The Journal of Chemical Physics|July 2, 2010
Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactionsWuming Zhu, Julien Toulouse, Andreas Savin, et al.The Journal of Chemical Physics|July 2, 2010
Matrix-free application of Hamiltonian operators in Coifman wavelet basesRamiro Acevedo, Richard Lombardini, Bruce R JohnsonThe Journal of Chemical Physics|July 2, 2010
First-principles studies for CO and O(2) on gold nanoclusterYao-Ping Xie, Xin-Gao GongPageof 5,296