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H Bernhard

Showing results (111-120 of 261) with videos related to

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Journal of Chemical Theory and Computation|November 24, 2015
Can Metallapyrimidines Be Aromatic? A Computational Study into a New Class of MetallacyclesBrian T Psciuk, Richard L Lord, Charles H Winter, et al.
Inorganic Chemistry|September 22, 2010
Observations on the low-energy limits for metal-to-ligand charge-transfer excited-state energies of ruthenium(II) polypyridyl complexesOnduru S Odongo, Marco M Allard, H Bernhard Schlegel, et al.
Journal of Computational Chemistry|April 1, 2003
Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraintsThom Vreven, Keiji Morokuma, Odön Farkas, et al.
Journal of the American Chemical Society|August 31, 2023
Scope and Mechanistic Probe into Asymmetric Synthesis of α-Trisubstituted-α-Tertiary Amines by Rhodium CatalysisMadhawee K Arachchi, Richard N Schaugaard, H Bernhard Schlegel, et al.
Journal of Chemical Theory and Computation|November 24, 2015
Theoretical Determination of One-Electron Oxidation Potentials for Nucleic Acid BasesBrian T Psciuk, Richard L Lord, Barbara H Munk, et al.
Journal of Chemical Theory and Computation|November 27, 2015
Distributed Gaussian Valence Bond Surface Derived from Ab Initio CalculationsJason L Sonnenberg, Kim F Wong, Gregory A Voth, et al.
The Journal of Physical Chemistry. B|December 31, 2009
Matrix metalloproteinase 2 (MMP2) inhibition: DFT and QM/MM studies of the deprotonation-initialized ring-opening reaction of the sulfoxide analogue of SB-3CTPeng Tao, Jed F Fisher, Qicun Shi, et al.
Biomedizinische Technik. Biomedical Engineering|January 1, 1997
[Determination of mass inertia of the respiratory system--a model study]J Ramirez, G Mols, G Braun, et al.
Physical Chemistry Chemical Physics : PCCP|April 25, 2006
Chemical failure modes of AlQ3-based OLEDs: AlQ3 hydrolysisJohn E Knox, Mathew D Halls, Hrant P Hratchian, et al.
ACS Catalysis|December 11, 2019
Are Brønsted Acids the True Promoter of Metal-Triflate-Catalyzed Glycosylations? A Mechanistic Probe into 1,2-<i>cis</i>-Aminoglycoside Formation by Nickel TriflateEric T Sletten, Yi-Jung Tu, H Bernhard Schlegel, et al.
Pageof 27

Showing results (111-120 of 261) with videos related to

Sort By:
Pageof 27
Journal of Chemical Theory and Computation|November 24, 2015
Can Metallapyrimidines Be Aromatic? A Computational Study into a New Class of MetallacyclesBrian T Psciuk, Richard L Lord, Charles H Winter, et al.
Inorganic Chemistry|September 22, 2010
Observations on the low-energy limits for metal-to-ligand charge-transfer excited-state energies of ruthenium(II) polypyridyl complexesOnduru S Odongo, Marco M Allard, H Bernhard Schlegel, et al.
Journal of Computational Chemistry|April 1, 2003
Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraintsThom Vreven, Keiji Morokuma, Odön Farkas, et al.
Journal of the American Chemical Society|August 31, 2023
Scope and Mechanistic Probe into Asymmetric Synthesis of α-Trisubstituted-α-Tertiary Amines by Rhodium CatalysisMadhawee K Arachchi, Richard N Schaugaard, H Bernhard Schlegel, et al.
Journal of Chemical Theory and Computation|November 24, 2015
Theoretical Determination of One-Electron Oxidation Potentials for Nucleic Acid BasesBrian T Psciuk, Richard L Lord, Barbara H Munk, et al.
Journal of Chemical Theory and Computation|November 27, 2015
Distributed Gaussian Valence Bond Surface Derived from Ab Initio CalculationsJason L Sonnenberg, Kim F Wong, Gregory A Voth, et al.
The Journal of Physical Chemistry. B|December 31, 2009
Matrix metalloproteinase 2 (MMP2) inhibition: DFT and QM/MM studies of the deprotonation-initialized ring-opening reaction of the sulfoxide analogue of SB-3CTPeng Tao, Jed F Fisher, Qicun Shi, et al.
Biomedizinische Technik. Biomedical Engineering|January 1, 1997
[Determination of mass inertia of the respiratory system--a model study]J Ramirez, G Mols, G Braun, et al.
Physical Chemistry Chemical Physics : PCCP|April 25, 2006
Chemical failure modes of AlQ3-based OLEDs: AlQ3 hydrolysisJohn E Knox, Mathew D Halls, Hrant P Hratchian, et al.
ACS Catalysis|December 11, 2019
Are Brønsted Acids the True Promoter of Metal-Triflate-Catalyzed Glycosylations? A Mechanistic Probe into 1,2-<i>cis</i>-Aminoglycoside Formation by Nickel TriflateEric T Sletten, Yi-Jung Tu, H Bernhard Schlegel, et al.
Pageof 27