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Mark A Iron

Showing results (1-10 of 68) with videos related to

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Journal of Chemical Theory and Computation|October 11, 2017
Evaluation of the Factors Impacting the Accuracy of <sup>13</sup>C NMR Chemical Shift Predictions using Density Functional Theory-The Advantage of Long-Range Corrected FunctionalsMark A Iron
The Journal of Physical Chemistry. A|May 27, 2026
On the Equivalence of Two-Point Basis-Set Extrapolations and Robust Parameterization for Coupled-Cluster and Double-Hybrid DFT MethodsMark A Iron
The Journal of Physical Chemistry. A|April 12, 2019
Evaluating Transition Metal Barrier Heights with the Latest Density Functional Theory Exchange-Correlation Functionals: The MOBH35 Benchmark DatabaseMark A Iron, Trevor Janes
Physical Chemistry Chemical Physics : PCCP|July 26, 2019
Cost-effective density functional theory (DFT) calculations of equilibrium isotopic fractionation in large organic moleculesMark A Iron, Jonathan Gropp
Journal of Chemical Theory and Computation|November 19, 2015
On the Innocence of Bipyridine Ligands: How Well Do DFT Functionals Fare for These Challenging Spin Systems?Petr Milko, Mark A Iron
The Journal of Physical Chemistry. A|July 16, 2019
Correction to "Evaluating Transition Metal Barrier Heights with the Latest Density Functional Theory Exchange-Correlation Functionals: The MOBH35 Benchmark Database"Mark A Iron, Trevor Janes
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 19, 2016
Mechanism of the Copper/TEMPO-Catalyzed Aerobic Oxidation of AlcoholsMark A Iron, Alex M Szpilman
The Journal of Physical Chemistry. A|February 23, 2011
On the unexpected stability of the dianion of perylene diimide in water--a computational studyMark A Iron, Revital Cohen, Boris Rybtchinski
Chemical Science|June 2, 2017
Amplifying undetectable NMR signals to study host-guest interactions and exchangeLiat Avram, Mark A Iron, Amnon Bar-Shir
Chemical Communications (Cambridge, England)|January 24, 2013
Platinum complexes of cationic ligands for the aerobic oxidation of "inert" perfluoro-substituted alcoholsHaviv Ben-David, Mark A Iron, Ronny Neumann
Pageof 7

Showing results (1-10 of 68) with videos related to

Sort By:
Pageof 7
Journal of Chemical Theory and Computation|October 11, 2017
Evaluation of the Factors Impacting the Accuracy of <sup>13</sup>C NMR Chemical Shift Predictions using Density Functional Theory-The Advantage of Long-Range Corrected FunctionalsMark A Iron
The Journal of Physical Chemistry. A|May 27, 2026
On the Equivalence of Two-Point Basis-Set Extrapolations and Robust Parameterization for Coupled-Cluster and Double-Hybrid DFT MethodsMark A Iron
The Journal of Physical Chemistry. A|April 12, 2019
Evaluating Transition Metal Barrier Heights with the Latest Density Functional Theory Exchange-Correlation Functionals: The MOBH35 Benchmark DatabaseMark A Iron, Trevor Janes
Physical Chemistry Chemical Physics : PCCP|July 26, 2019
Cost-effective density functional theory (DFT) calculations of equilibrium isotopic fractionation in large organic moleculesMark A Iron, Jonathan Gropp
Journal of Chemical Theory and Computation|November 19, 2015
On the Innocence of Bipyridine Ligands: How Well Do DFT Functionals Fare for These Challenging Spin Systems?Petr Milko, Mark A Iron
The Journal of Physical Chemistry. A|July 16, 2019
Correction to "Evaluating Transition Metal Barrier Heights with the Latest Density Functional Theory Exchange-Correlation Functionals: The MOBH35 Benchmark Database"Mark A Iron, Trevor Janes
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 19, 2016
Mechanism of the Copper/TEMPO-Catalyzed Aerobic Oxidation of AlcoholsMark A Iron, Alex M Szpilman
The Journal of Physical Chemistry. A|February 23, 2011
On the unexpected stability of the dianion of perylene diimide in water--a computational studyMark A Iron, Revital Cohen, Boris Rybtchinski
Chemical Science|June 2, 2017
Amplifying undetectable NMR signals to study host-guest interactions and exchangeLiat Avram, Mark A Iron, Amnon Bar-Shir
Chemical Communications (Cambridge, England)|January 24, 2013
Platinum complexes of cationic ligands for the aerobic oxidation of "inert" perfluoro-substituted alcoholsHaviv Ben-David, Mark A Iron, Ronny Neumann
Pageof 7