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Gerald Knizia

Showing results (21-30 of 36) with videos related to

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Journal of Chemical Theory and Computation|February 8, 2021
Generalization of Intrinsic Orbitals to Kramers-Paired Quaternion Spinors, Molecular Fragments, and Valence Virtual SpinorsBruno Senjean, Souloke Sen, Michal Repisky, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 18, 2018
The Pentagonal-Pyramidal Hexamethylbenzene Dication: Many Shades of Coordination Chemistry at CarbonJohannes E M N Klein, Remco W A Havenith, Gerald Knizia
Angewandte Chemie (International Ed. in English)|June 18, 2019
σ-Noninnocence: Masked Phenyl-Cation Transfer at Formal Ni<sup>IV</sup>Jelte S Steen, Gerald Knizia, Johannes E M N Klein
Chemistryopen|October 9, 2019
Epoxidation of Alkenes by Peracids: From Textbook Mechanisms to a Quantum Mechanically Derived Curly-Arrow DepictionJohannes E M N Klein, Gerald Knizia, Henry S Rzepa
Journal of Chemical Theory and Computation|July 22, 2017
Automated Construction of Molecular Active Spaces from Atomic Valence OrbitalsElvira R Sayfutyarova, Qiming Sun, Garnet Kin-Lic Chan, et al.
Journal of Chemical Theory and Computation|November 19, 2015
Scalable electron correlation methods I.: PNO-LMP2 with linear scaling in the molecular size and near-inverse-linear scaling in the number of processorsHans-Joachim Werner, Gerald Knizia, Christine Krause, et al.
The Journal of Chemical Physics|November 26, 2009
Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis setsJ Grant Hill, Kirk A Peterson, Gerald Knizia, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|May 13, 2014
Fe or Fe-NO catalysis? A quantum chemical investigation of the [Fe(CO)3(NO)](-)-catalyzed Cloke-Wilson rearrangementJohannes E M N Klein, Gerald Knizia, Burkhard Miehlich, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|September 19, 2017
C(sp<sup>3</sup> )-H Bond Activation by Vinylidene Gold(I) Complexes: A Concerted Asynchronous or Stepwise Process?Johannes E M N Klein, Gerald Knizia, Laura Nunes Dos Santos Comprido, et al.
Angewandte Chemie (International Ed. in English)|May 8, 2015
The Stabilizing Effects in Gold Carbene ComplexesLaura Nunes Dos Santos Comprido, Johannes E M N Klein, Gerald Knizia, et al.
Pageof 4

Showing results (21-30 of 36) with videos related to

Sort By:
Pageof 4
Journal of Chemical Theory and Computation|February 8, 2021
Generalization of Intrinsic Orbitals to Kramers-Paired Quaternion Spinors, Molecular Fragments, and Valence Virtual SpinorsBruno Senjean, Souloke Sen, Michal Repisky, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 18, 2018
The Pentagonal-Pyramidal Hexamethylbenzene Dication: Many Shades of Coordination Chemistry at CarbonJohannes E M N Klein, Remco W A Havenith, Gerald Knizia
Angewandte Chemie (International Ed. in English)|June 18, 2019
σ-Noninnocence: Masked Phenyl-Cation Transfer at Formal Ni<sup>IV</sup>Jelte S Steen, Gerald Knizia, Johannes E M N Klein
Chemistryopen|October 9, 2019
Epoxidation of Alkenes by Peracids: From Textbook Mechanisms to a Quantum Mechanically Derived Curly-Arrow DepictionJohannes E M N Klein, Gerald Knizia, Henry S Rzepa
Journal of Chemical Theory and Computation|July 22, 2017
Automated Construction of Molecular Active Spaces from Atomic Valence OrbitalsElvira R Sayfutyarova, Qiming Sun, Garnet Kin-Lic Chan, et al.
Journal of Chemical Theory and Computation|November 19, 2015
Scalable electron correlation methods I.: PNO-LMP2 with linear scaling in the molecular size and near-inverse-linear scaling in the number of processorsHans-Joachim Werner, Gerald Knizia, Christine Krause, et al.
The Journal of Chemical Physics|November 26, 2009
Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis setsJ Grant Hill, Kirk A Peterson, Gerald Knizia, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|May 13, 2014
Fe or Fe-NO catalysis? A quantum chemical investigation of the [Fe(CO)3(NO)](-)-catalyzed Cloke-Wilson rearrangementJohannes E M N Klein, Gerald Knizia, Burkhard Miehlich, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|September 19, 2017
C(sp<sup>3</sup> )-H Bond Activation by Vinylidene Gold(I) Complexes: A Concerted Asynchronous or Stepwise Process?Johannes E M N Klein, Gerald Knizia, Laura Nunes Dos Santos Comprido, et al.
Angewandte Chemie (International Ed. in English)|May 8, 2015
The Stabilizing Effects in Gold Carbene ComplexesLaura Nunes Dos Santos Comprido, Johannes E M N Klein, Gerald Knizia, et al.
Pageof 4