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The Journal of Chemical Physics|May 3, 2014
The Raman spectrum of CaCO3 polymorphs calcite and aragonite: a combined experimental and computational studyMarco De La Pierre, Cédric Carteret, Lorenzo Maschio, et al.The Journal of Physical Chemistry. A|October 16, 2013
Raman spectrum of pyrope garnet. A quantum mechanical simulation of frequencies, intensities, and isotope shiftsLorenzo Maschio, Bernard Kirtman, Simone Salustro, et al.The Journal of Physical Chemistry. A|June 25, 2011
The first and second static electronic hyperpolarizabilities of zigzag boron nitride nanotubes. An ab initio approach through the coupled perturbed Kohn-Sham schemeRoberto Orlando, Radovan Bast, Kenneth Ruud, et al.The Journal of Physical Chemistry. B|July 21, 2006
Vibration Frequencies of Mg3Al2Si3O12 Pyrope. An ab initio study with the CRYSTAL codeFabien Pascale, Claudio M Zicovich-Wilson, Roberto Orlando, et al.The Journal of Chemical Physics|September 15, 2014
On the full exploitation of symmetry in periodic (as well as molecular) self-consistent-field ab initio calculationsRoberto Orlando, Marco De La Pierre, Claudio M Zicovich-Wilson, et al.Journal of Chemical Theory and Computation|June 16, 2016
Assessment of Different Quantum Mechanical Methods for the Prediction of Structure and Cohesive Energy of Molecular CrystalsMichele Cutini, Bartolomeo Civalleri, Marta Corno, et al.Pageof 4