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Peter R Tentscher

Showing results (1-10 of 14) with videos related to

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Physical Chemistry Chemical Physics : PCCP|November 25, 2024
Calculated ionization energies, orbital eigenvalues (HOMO), and related QSAR descriptors of organic molecules: a set of 61 experimental values enables elimination of systematic errors and provides realistic error estimatesPeter R Tentscher
Journal of Chemical Theory and Computation|November 21, 2015
Binding in Radical-Solvent Binary Complexes: Benchmark Energies and Performance of Approximate MethodsPeter R Tentscher, J Samuel Arey
The Journal of Physical Chemistry. A|November 15, 2013
On the nature of interactions of radicals with polar moleculesPeter R Tentscher, J Samuel Arey
Journal of Chemical Theory and Computation|November 24, 2015
Geometries and Vibrational Frequencies of Small Radicals: Performance of Coupled Cluster and More Approximate MethodsPeter R Tentscher, J Samuel Arey
The Science of the Total Environment|July 11, 2022
Further transformation of the primary ozonation products of tramadol- and venlafaxine N-oxide: Mechanistic and structural considerationsSuman Kharel, Peter R Tentscher, Kai Bester
Accounts of Chemical Research|March 5, 2019
Micropollutant Oxidation Studied by Quantum Chemical Computations: Methodology and Applications to Thermodynamics, Kinetics, and Reaction MechanismsPeter R Tentscher, Minju Lee, Urs von Gunten
Environmental Science & Technology|March 22, 2018
Ozonation of Para-Substituted Phenolic Compounds Yields p-Benzoquinones, Other Cyclic α,β-Unsaturated Ketones, and Substituted CatecholsPeter R Tentscher, Marc Bourgin, Urs von Gunten
The Journal of Physical Chemistry. A|January 5, 2019
Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory CalculationsDaniela Trogolo, J Samuel Arey, Peter R Tentscher
Physical Chemistry Chemical Physics : PCCP|May 16, 2015
Explicit solvent simulations of the aqueous oxidation potential and reorganization energy for neutral molecules: gas phase, linear solvent response, and non-linear response contributionsJennifer J Guerard, Peter R Tentscher, Marianne Seijo, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|July 6, 2013
Aqueous oxidation of sulfonamide antibiotics: aromatic nucleophilic substitution of an aniline radical cationPeter R Tentscher, Soren N Eustis, Kristopher McNeill, et al.
Pageof 2

Showing results (1-10 of 14) with videos related to

Sort By:
Pageof 2
Physical Chemistry Chemical Physics : PCCP|November 25, 2024
Calculated ionization energies, orbital eigenvalues (HOMO), and related QSAR descriptors of organic molecules: a set of 61 experimental values enables elimination of systematic errors and provides realistic error estimatesPeter R Tentscher
Journal of Chemical Theory and Computation|November 21, 2015
Binding in Radical-Solvent Binary Complexes: Benchmark Energies and Performance of Approximate MethodsPeter R Tentscher, J Samuel Arey
The Journal of Physical Chemistry. A|November 15, 2013
On the nature of interactions of radicals with polar moleculesPeter R Tentscher, J Samuel Arey
Journal of Chemical Theory and Computation|November 24, 2015
Geometries and Vibrational Frequencies of Small Radicals: Performance of Coupled Cluster and More Approximate MethodsPeter R Tentscher, J Samuel Arey
The Science of the Total Environment|July 11, 2022
Further transformation of the primary ozonation products of tramadol- and venlafaxine N-oxide: Mechanistic and structural considerationsSuman Kharel, Peter R Tentscher, Kai Bester
Accounts of Chemical Research|March 5, 2019
Micropollutant Oxidation Studied by Quantum Chemical Computations: Methodology and Applications to Thermodynamics, Kinetics, and Reaction MechanismsPeter R Tentscher, Minju Lee, Urs von Gunten
Environmental Science & Technology|March 22, 2018
Ozonation of Para-Substituted Phenolic Compounds Yields p-Benzoquinones, Other Cyclic α,β-Unsaturated Ketones, and Substituted CatecholsPeter R Tentscher, Marc Bourgin, Urs von Gunten
The Journal of Physical Chemistry. A|January 5, 2019
Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory CalculationsDaniela Trogolo, J Samuel Arey, Peter R Tentscher
Physical Chemistry Chemical Physics : PCCP|May 16, 2015
Explicit solvent simulations of the aqueous oxidation potential and reorganization energy for neutral molecules: gas phase, linear solvent response, and non-linear response contributionsJennifer J Guerard, Peter R Tentscher, Marianne Seijo, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|July 6, 2013
Aqueous oxidation of sulfonamide antibiotics: aromatic nucleophilic substitution of an aniline radical cationPeter R Tentscher, Soren N Eustis, Kristopher McNeill, et al.
Pageof 2