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Inorganic Chemistry
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March 25, 2008
First-principles investigation of the Schrock mechanism of dinitrogen reduction employing the full HIPTN3N ligand
Stephan Schenk, Boris Le Guennic, Barbara Kirchner, et al.
Faraday Discussions
|
October 13, 2016
Uncertainty quantification for quantum chemical models of complex reaction networks
Jonny Proppe, Tamara Husch, Gregor N Simm, et al.
Journal of Chemical Theory and Computation
|
June 19, 2012
Accurate ab Initio Spin Densities
Katharina Boguslawski, Konrad H Marti, Ors Legeza, et al.
The Journal of Physical Chemistry Letters
|
June 28, 2024
Vibrational Entanglement through the Lens of Quantum Information Measures
Nina Glaser, Alberto Baiardi, Annina Z Lieberherr, et al.
Journal of Chemical Theory and Computation
|
July 6, 2017
Vibrational Density Matrix Renormalization Group
Alberto Baiardi, Christopher J Stein, Vincenzo Barone, et al.
Inorganic Chemistry
|
August 30, 2005
Theoretical study on the spin-state energy splittings and local spin in cationic [Re]-Cn-[Re] complexes
Carmen Herrmann, Johannes Neugebauer, John A Gladysz, et al.
Journal of the American Chemical Society
|
August 16, 2017
Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages
Cornelius Gropp, Tamara Husch, Nils Trapp, et al.
Angewandte Chemie (International Ed. in English)
|
November 13, 2018
Hydrogen-Bonded Networks: Molecular Recognition of Cyclic Alcohols in Enantiopure Alleno-Acetylenic Cage Receptors
Cornelius Gropp, Tamara Husch, Nils Trapp, et al.
The Journal of Chemical Physics
|
January 15, 2008
Density matrix renormalization group calculations on relative energies of transition metal complexes and clusters
Konrad H Marti, Irina Malkin Ondík, Gerrit Moritz, et al.
Photochemistry and Photobiology
|
May 14, 2017
Quantum Chemical Spin Densities for Radical Cations of Photosynthetic Pigment Models
Denis G Artiukhin, Christopher J Stein, Markus Reiher, et al.
Page
of 27
Search research articles
Search
Showing results (171-180 of 270) with videos related to
Sort By:
Page
of 27
Inorganic Chemistry
|
March 25, 2008
First-principles investigation of the Schrock mechanism of dinitrogen reduction employing the full HIPTN3N ligand
Stephan Schenk, Boris Le Guennic, Barbara Kirchner, et al.
Faraday Discussions
|
October 13, 2016
Uncertainty quantification for quantum chemical models of complex reaction networks
Jonny Proppe, Tamara Husch, Gregor N Simm, et al.
Journal of Chemical Theory and Computation
|
June 19, 2012
Accurate ab Initio Spin Densities
Katharina Boguslawski, Konrad H Marti, Ors Legeza, et al.
The Journal of Physical Chemistry Letters
|
June 28, 2024
Vibrational Entanglement through the Lens of Quantum Information Measures
Nina Glaser, Alberto Baiardi, Annina Z Lieberherr, et al.
Journal of Chemical Theory and Computation
|
July 6, 2017
Vibrational Density Matrix Renormalization Group
Alberto Baiardi, Christopher J Stein, Vincenzo Barone, et al.
Inorganic Chemistry
|
August 30, 2005
Theoretical study on the spin-state energy splittings and local spin in cationic [Re]-Cn-[Re] complexes
Carmen Herrmann, Johannes Neugebauer, John A Gladysz, et al.
Journal of the American Chemical Society
|
August 16, 2017
Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages
Cornelius Gropp, Tamara Husch, Nils Trapp, et al.
Angewandte Chemie (International Ed. in English)
|
November 13, 2018
Hydrogen-Bonded Networks: Molecular Recognition of Cyclic Alcohols in Enantiopure Alleno-Acetylenic Cage Receptors
Cornelius Gropp, Tamara Husch, Nils Trapp, et al.
The Journal of Chemical Physics
|
January 15, 2008
Density matrix renormalization group calculations on relative energies of transition metal complexes and clusters
Konrad H Marti, Irina Malkin Ondík, Gerrit Moritz, et al.
Photochemistry and Photobiology
|
May 14, 2017
Quantum Chemical Spin Densities for Radical Cations of Photosynthetic Pigment Models
Denis G Artiukhin, Christopher J Stein, Markus Reiher, et al.
Page
of 27