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The Journal of Physical Chemistry. A|April 8, 2006
Revisiting the structure of (LiCH3)n aggregates using Car-Parrinello molecular dynamicsHélène Gérard, Aurélien de la Lande, Jacques Maddaluno, et al.The Journal of Physical Chemistry. A|April 8, 2006
Density functional investigation of high-spin XY (X = Cr, Mo, W and Y = C, N, O) moleculesF Stevens, I Carmichael, F Callens, et al.The Journal of Physical Chemistry. A|July 28, 2006
Conformational behavior of cis-2-methoxy, cis-2-methylthio, and cis-2-methylselenocyclohexanol: a theoretical and experimental investigationCleverson C Bocca, Ernani A Basso, Barbara C Fiorin, et al.The Journal of Physical Chemistry. A|July 28, 2006
Protonolysis of the Hg-C bond of chloromethylmercury and dimethylmercury. A DFT and QTAIM studyBoris Ni, James R Kramer, Russell A Bell, et al.The Journal of Physical Chemistry. A|March 17, 2006
Heats of transfer in the diffusion layer before the surface and the surface temperature for a catalytic hydrogen oxidation (H2 + (1/2)O2 --> H2O) reactionLianjie Zhu, Ger J M Koper, Dick BedeauxThe Journal of Physical Chemistry. A|March 3, 2006
State-resolved dynamics of the CH(A2Delta) channels from single and multiple photon dissociation of bromoform in the 10-20 eV energy rangeViktor Chikan, Frederic Fournier, Stephen R Leone, et al.The Journal of Physical Chemistry. A|March 3, 2006
Valence- and dipole-bound anions of the thymine-water complex: ab initio characterization of the potential energy surfacesTomaso Frigato, Daniel Svozil, Pavel JungwirthThe Journal of Physical Chemistry. A|March 3, 2006
Energy transfer in the d3Pi(g)-a3Pi(u) (0-0) Swan bands of C2: implications for quantitative measurementsA Brockhinke, M Letzgus, S Rinne, et al.The Journal of Physical Chemistry. A|March 3, 2006
A study of the reaction of N+ with O2: experimental quantification of NO+(a 3Sigma+) production (298-500 K) and computational study of the overall reaction pathwaysAnthony J Midey, A A Viggiano, Peng Zhang, et al.The Journal of Physical Chemistry. A|March 3, 2006
Ab initio and analytic intermolecular potentials for Ar-CF4Grigoriy Vayner, Yuri Alexeev, Jiangping Wang, et al.Pageof 2,780