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Roberto Peverati

Showing results (21-30 of 37) with videos related to

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The Journal of Chemical Physics|August 3, 2011
Density functional study of multiplicity-changing valence and Rydberg excitations of p-block elements: delta self-consistent field, collinear spin-flip time-dependent density functional theory (DFT), and conventional time-dependent DFTKe Yang, Roberto Peverati, Donald G Truhlar, et al.
The Journal of Physical Chemistry. A|December 18, 2012
Assessment and validation of density functional approximations for iron carbide and iron carbide cationRuifang Li, Roberto Peverati, Miho Isegawa, et al.
Journal of Chemical Theory and Computation|November 24, 2015
Benchmark Database for Ylidic Bond Dissociation Energies and Its Use for Assessments of Electronic Structure MethodsYan Zhao, Hou T Ng, Roberto Peverati, et al.
The Journal of Physical Chemistry. A|October 7, 2014
Formation and stability of C₆H₃⁺ isomersRoberto Peverati, Partha P Bera, Timothy J Lee, et al.
Physical Chemistry Chemical Physics : PCCP|December 5, 2014
Hydrocarbon growth via ion-molecule reactions: computational studies of the isomers of C₄H2₂⁺, C₆H₂⁺ and C₆H₄⁺ and their formation paths from acetylene and its fragmentsPartha P Bera, Roberto Peverati, Martin Head-Gordon, et al.
Scientific Reports|January 15, 2021
Competition between cyclization and unusual Norrish type I and type II nitro-acyl migration pathways in the photouncaging of 1-acyl-7-nitroindoline revealed by computationsPierpaolo Morgante, Charitha Guruge, Yannick P Ouedraogo, et al.
Tetrahedron Letters|December 20, 2021
Design and synthesis of 3,3'-triazolyl biisoquinoline <i>N</i>,<i>N'</i>-dioxides via Hiyama cross-coupling of 4-trimethylsilyl-1,2,3-triazolesShiyu Sun, Carlyn Reep, Chenrui Zhang, et al.
Catalysts (Basel, Switzerland)|October 31, 2022
Steps toward Rationalization of the Enantiomeric Excess of the Sakurai-Hosomi-Denmark Allylation Catalyzed by Biisoquinoline N,N'-Dioxides Using ComputationsPierpaolo Morgante, Coty Deluca, Tegla E Jones, et al.
Catalysts (Basel, Switzerland)|October 26, 2022
Evaluation of 3,3'-Triazolyl Biisoquinoline <i>N</i>,<i>N</i>'-Dioxide Catalysts for Asymmetric Hydrosilylation of Hydrazones with TrichlorosilaneShiyu Sun, Changgong Xu, Jamielyn Jarvis, et al.
Journal of the American Chemical Society|August 1, 2017
Nucleophilic Aromatic Addition in Ionizing Environments: Observation and Analysis of New C-N Valence Bonds in Complexes between Naphthalene Radical Cation and PyridineRoberto Peverati, Sean P Platt, Isaac K Attah, et al.
Pageof 4

Showing results (21-30 of 37) with videos related to

Sort By:
Pageof 4
The Journal of Chemical Physics|August 3, 2011
Density functional study of multiplicity-changing valence and Rydberg excitations of p-block elements: delta self-consistent field, collinear spin-flip time-dependent density functional theory (DFT), and conventional time-dependent DFTKe Yang, Roberto Peverati, Donald G Truhlar, et al.
The Journal of Physical Chemistry. A|December 18, 2012
Assessment and validation of density functional approximations for iron carbide and iron carbide cationRuifang Li, Roberto Peverati, Miho Isegawa, et al.
Journal of Chemical Theory and Computation|November 24, 2015
Benchmark Database for Ylidic Bond Dissociation Energies and Its Use for Assessments of Electronic Structure MethodsYan Zhao, Hou T Ng, Roberto Peverati, et al.
The Journal of Physical Chemistry. A|October 7, 2014
Formation and stability of C₆H₃⁺ isomersRoberto Peverati, Partha P Bera, Timothy J Lee, et al.
Physical Chemistry Chemical Physics : PCCP|December 5, 2014
Hydrocarbon growth via ion-molecule reactions: computational studies of the isomers of C₄H2₂⁺, C₆H₂⁺ and C₆H₄⁺ and their formation paths from acetylene and its fragmentsPartha P Bera, Roberto Peverati, Martin Head-Gordon, et al.
Scientific Reports|January 15, 2021
Competition between cyclization and unusual Norrish type I and type II nitro-acyl migration pathways in the photouncaging of 1-acyl-7-nitroindoline revealed by computationsPierpaolo Morgante, Charitha Guruge, Yannick P Ouedraogo, et al.
Tetrahedron Letters|December 20, 2021
Design and synthesis of 3,3'-triazolyl biisoquinoline <i>N</i>,<i>N'</i>-dioxides via Hiyama cross-coupling of 4-trimethylsilyl-1,2,3-triazolesShiyu Sun, Carlyn Reep, Chenrui Zhang, et al.
Catalysts (Basel, Switzerland)|October 31, 2022
Steps toward Rationalization of the Enantiomeric Excess of the Sakurai-Hosomi-Denmark Allylation Catalyzed by Biisoquinoline N,N'-Dioxides Using ComputationsPierpaolo Morgante, Coty Deluca, Tegla E Jones, et al.
Catalysts (Basel, Switzerland)|October 26, 2022
Evaluation of 3,3'-Triazolyl Biisoquinoline <i>N</i>,<i>N</i>'-Dioxide Catalysts for Asymmetric Hydrosilylation of Hydrazones with TrichlorosilaneShiyu Sun, Changgong Xu, Jamielyn Jarvis, et al.
Journal of the American Chemical Society|August 1, 2017
Nucleophilic Aromatic Addition in Ionizing Environments: Observation and Analysis of New C-N Valence Bonds in Complexes between Naphthalene Radical Cation and PyridineRoberto Peverati, Sean P Platt, Isaac K Attah, et al.
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