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Journal of Computational Chemistry
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May 13, 2008
QM/MM vibrational mode tracking
Carmen Herrmann, Johannes Neugebauer, Markus Reiher
Journal of Chemical Theory and Computation
|
June 12, 2019
Correction to Calculation of Ligand Dissociation Energies in Large Transition-Metal Complexes
Tamara Husch, Leon Freitag, Markus Reiher
Journal of Chemical Theory and Computation
|
February 12, 2026
<i>n</i>-Mode Quantized Anharmonic Vibronic Hamiltonians for Matrix Product State Dynamics
Valentin Barandun, Nina Glaser, Markus Reiher
The Journal of Chemical Physics
|
November 17, 2018
Explicitly correlated Gaussian functions with shifted-center and projection techniques in pre-Born-Oppenheimer calculations
Andrea Muolo, Edit Mátyus, Markus Reiher
The Journal of Chemical Physics
|
November 19, 2005
Relativistic DMRG calculations on the curve crossing of cesium hydride
Gerrit Moritz, Alexander Wolf, Markus Reiher
The Journal of Chemical Physics
|
March 3, 2018
Generalized elimination of the global translation from explicitly correlated Gaussian functions
Andrea Muolo, Edit Mátyus, Markus Reiher
The Journal of Physical Chemistry. B
|
January 29, 2008
Relevance of the electric-dipole--electric-quadrupole contribution to Raman optical activity spectra
Sandra Luber, Carmen Herrmann, Markus Reiher
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 31, 2006
Can Raman optical activity separate axial from local chirality? A theoretical study of helical deca-alanine
Carmen Herrmann, Kenneth Ruud, Markus Reiher
The Journal of Physical Chemistry. A
|
July 13, 2006
Basis set and density functional dependence of vibrational Raman optical activity calculations
Markus Reiher, Vincent Liégeois, Kenneth Ruud
The Journal of Chemical Physics
|
February 19, 2009
Intensity tracking for theoretical infrared spectroscopy of large molecules
Sandra Luber, Johannes Neugebauer, Markus Reiher
Page
of 27
Search research articles
Search
Showing results (81-90 of 270) with videos related to
Sort By:
Page
of 27
Journal of Computational Chemistry
|
May 13, 2008
QM/MM vibrational mode tracking
Carmen Herrmann, Johannes Neugebauer, Markus Reiher
Journal of Chemical Theory and Computation
|
June 12, 2019
Correction to Calculation of Ligand Dissociation Energies in Large Transition-Metal Complexes
Tamara Husch, Leon Freitag, Markus Reiher
Journal of Chemical Theory and Computation
|
February 12, 2026
<i>n</i>-Mode Quantized Anharmonic Vibronic Hamiltonians for Matrix Product State Dynamics
Valentin Barandun, Nina Glaser, Markus Reiher
The Journal of Chemical Physics
|
November 17, 2018
Explicitly correlated Gaussian functions with shifted-center and projection techniques in pre-Born-Oppenheimer calculations
Andrea Muolo, Edit Mátyus, Markus Reiher
The Journal of Chemical Physics
|
November 19, 2005
Relativistic DMRG calculations on the curve crossing of cesium hydride
Gerrit Moritz, Alexander Wolf, Markus Reiher
The Journal of Chemical Physics
|
March 3, 2018
Generalized elimination of the global translation from explicitly correlated Gaussian functions
Andrea Muolo, Edit Mátyus, Markus Reiher
The Journal of Physical Chemistry. B
|
January 29, 2008
Relevance of the electric-dipole--electric-quadrupole contribution to Raman optical activity spectra
Sandra Luber, Carmen Herrmann, Markus Reiher
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 31, 2006
Can Raman optical activity separate axial from local chirality? A theoretical study of helical deca-alanine
Carmen Herrmann, Kenneth Ruud, Markus Reiher
The Journal of Physical Chemistry. A
|
July 13, 2006
Basis set and density functional dependence of vibrational Raman optical activity calculations
Markus Reiher, Vincent Liégeois, Kenneth Ruud
The Journal of Chemical Physics
|
February 19, 2009
Intensity tracking for theoretical infrared spectroscopy of large molecules
Sandra Luber, Johannes Neugebauer, Markus Reiher
Page
of 27