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The Journal of Chemical Physics|April 25, 2008
An atomic orbital-based reformulation of energy gradients in second-order Møller-Plesset perturbation theorySabine Schweizer, Bernd Doser, Christian OchsenfeldThe Journal of Chemical Physics|April 25, 2008
Cooperativity between two types of hydrogen bond in H(3)C-HCN-HCN and H(3)C-HNC-HNC complexesQingzhong Li, Xiulin An, Feng Luan, et al.The Journal of Chemical Physics|April 25, 2008
Quantum trajectories in complex space: one-dimensional stationary scattering problemsChia-Chun Chou, Robert E WyattThe Journal of Chemical Physics|April 25, 2008
Monte Carlo free energy calculations using electronic structure methodsDaniel R Matusek, Sébastien Osborne, Alain St-AmantThe Journal of Chemical Physics|April 25, 2008
Nonadiabatic couplings from time-dependent density functional theory. II. Successes and challenges of the pseudopotential approximationChunping Hu, Hirotoshi Hirai, Osamu SuginoThe Journal of Chemical Physics|April 25, 2008
Extrapolating potential energy surfaces by scaling electron correlation: isomerization of bicyclobutane to butadieneJesse J Lutz, Piotr PiecuchThe Journal of Chemical Physics|April 25, 2008
Higher excitations for an exponential multireference wavefunction Ansatz and single-reference based multireference coupled cluster Ansatz: application to model systems H(4), P(4), and BeH(2)Michael HanrathThe Journal of Chemical Physics|April 25, 2008
Theoretical investigation of the vibronic spectrum in the X(2)Pi(u) electronic state of C(6)(+)Radomir Ranković, Stanka Jerosimić, Miljenko PerićThe Journal of Chemical Physics|April 25, 2008
Matrix isolation IR spectroscopic and ab initio studies of C(3)N(-) and related speciesRobert Kołos, Marcin Gronowski, Peter BotschwinaThe Journal of Chemical Physics|April 25, 2008
Photoabsorption spectra of small fullerenes and Si-heterofullerenesLaura Koponen, Martti J Puska, Risto M NieminenPageof 5,308