Results 231 to 240 of about 6,456,618 (282)

Beyond static descriptors: the need for <i>operando</i> insights into MXene catalysts for the hydrogen evolution reaction.

Phys Chem Chem Phys
Zaman JU, Ten Elshof JE, Baeumer C.
europepmc   +1 more source

Linear Response Functions for a Vibrational Configuration Interaction State [PDF]

Journal of Chemical Physics, 2006
Linear response functions are implemented for a vibrational configuration interaction state allowing accurate analytical calculations of pure vibrational contributions to dynamical polarizabilities.
Ove Christiansen, Martin J Paterson, Josep M. Luis   +2 more
exaly   +2 more sources

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 Response theory for vibrational wave functions

The Journal of Chemical Physics, 2005
A formalism for deriving and implementing response functions for vibrational wave functions is described. The formalism utilizes a recently developed second-quantization formulation of many-mode dynamics to define nonredundant parameterizations for different types of approximate vibrational wave functions. The derived response functions cover the cases
openaire   +3 more sources

Calculation of Vibrational Energy of Molecule Using Coupled Cluster Linear Response Theory in Bosonic Representation: Convergence Studies

Journal of Chemical Physics, 2008
Vibrational excited state energies have been calculated using vibrational coupled cluster linear response theory (CCLRT). The method has been implemented on formaldehyde and water molecule.
Subrata Banik, Sourav Pal, M Durga Prasad   +2 more
exaly   +2 more sources

HUMAN RESPONSE TO VIBRATION

Journal of Sound and Vibration, 2002
M.J. Griffin, M. Petyt
  +6 more sources

HUMAN RESPONSE TO VIBRATION

Journal of Sound and Vibration, 1998
M.J. Griffin, J. Griffin
  +5 more sources

HUMAN RESPONSE TO VIBRATION

Journal of Sound and Vibration, 2001
M.J. Griffin, J. Griffin
  +5 more sources

HUMAN RESPONSE TO VIBRATION

Journal of Sound and Vibration, 1999
M.J. Griffin, J. Griffin
  +4 more sources