Search research articles
Contact Us
Filters
Showing results (1-10 of 9) with videos related to
Page
of 1
Sort By:
The Journal of Chemical Physics
|
July 23, 2004
The structure of the second-order reduced density matrix in density matrix functional theory and its construction from formal criteria
Christian Kollmar, Bernd A Hess
The Journal of Chemical Physics
|
July 23, 2004
Resonance Raman spectra of uracil based on Kramers-Kronig relations using time-dependent density functional calculations and multireference perturbation theory
Johannes Neugebauer, Bernd A Hess
The Journal of Chemical Physics
|
March 3, 2005
Comparative analysis of local spin definitions
Carmen Herrmann, Markus Reiher, Bernd A Hess
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 27, 2003
A quantum chemical study of racemization pathways in substituted chrysene derivatives
Carsten Kind, Andreas W Götz, Bernd A Hess
Journal of Computational Chemistry
|
June 18, 2005
Optimization of auxiliary basis sets for the LEDO expansion and a projection technique for LEDO-DFT
Andreas W Götz, Christian Kollmar, Bernd A Hess
Journal of Computational Chemistry
|
May 2, 2002
Quantum chemical calculation of vibrational spectra of large molecules--Raman and IR spectra for Buckminsterfullerene
Johannes Neugebauer, Markus Reiher, Carsten Kind, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 20, 2004
Car-Parrinello molecular dynamics study of the initial dinitrogen reduction step in Sellmann-type nitrogenase model complexes
Barbara Kirchner, Markus Reiher, Andreas Hille, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 16, 2003
Iron carbonyl, nitrosyl, and nitro complexes of a tetrapodal pentadentate amine ligand: synthesis, electronic structure, and nitrite reductase-like reactivity
Jesús Pitarch López, Frank W Heinemann, Raju Prakash, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 14, 2004
Synthesis, structure, and dynamics of six-membered metallacoronands and metallodendrimers of iron and indium
Rolf W Saalfrank, Christian Deutscher, Harald Maid, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
July 23, 2004
The structure of the second-order reduced density matrix in density matrix functional theory and its construction from formal criteria
Christian Kollmar, Bernd A Hess
The Journal of Chemical Physics
|
July 23, 2004
Resonance Raman spectra of uracil based on Kramers-Kronig relations using time-dependent density functional calculations and multireference perturbation theory
Johannes Neugebauer, Bernd A Hess
The Journal of Chemical Physics
|
March 3, 2005
Comparative analysis of local spin definitions
Carmen Herrmann, Markus Reiher, Bernd A Hess
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 27, 2003
A quantum chemical study of racemization pathways in substituted chrysene derivatives
Carsten Kind, Andreas W Götz, Bernd A Hess
Journal of Computational Chemistry
|
June 18, 2005
Optimization of auxiliary basis sets for the LEDO expansion and a projection technique for LEDO-DFT
Andreas W Götz, Christian Kollmar, Bernd A Hess
Journal of Computational Chemistry
|
May 2, 2002
Quantum chemical calculation of vibrational spectra of large molecules--Raman and IR spectra for Buckminsterfullerene
Johannes Neugebauer, Markus Reiher, Carsten Kind, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 20, 2004
Car-Parrinello molecular dynamics study of the initial dinitrogen reduction step in Sellmann-type nitrogenase model complexes
Barbara Kirchner, Markus Reiher, Andreas Hille, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 16, 2003
Iron carbonyl, nitrosyl, and nitro complexes of a tetrapodal pentadentate amine ligand: synthesis, electronic structure, and nitrite reductase-like reactivity
Jesús Pitarch López, Frank W Heinemann, Raju Prakash, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 14, 2004
Synthesis, structure, and dynamics of six-membered metallacoronands and metallodendrimers of iron and indium
Rolf W Saalfrank, Christian Deutscher, Harald Maid, et al.
Page
of 1