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Molecules (Basel, Switzerland)
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November 27, 2021
Drug Design: Where We Are and Future Prospects
Giuseppe Zagotto, Marco Bortoli
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 25, 2017
Role of the Chalcogen (S, Se, Te) in the Oxidation Mechanism of the Glutathione Peroxidase Active Site
Marco Bortoli, Mauro Torsello, F Matthias Bickelhaupt, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 11, 2022
Parameter free evaluation of S<sub>N</sub>2 reaction rates for halide substitution in halomethane
Marco Bortoli, Jonatan Campeggio, Laura Orian, et al.
Journal of Chemical Theory and Computation
|
April 21, 2016
Addition-Elimination or Nucleophilic Substitution? Understanding the Energy Profiles for the Reaction of Chalcogenolates with Dichalcogenides
Marco Bortoli, Lando P Wolters, Laura Orian, et al.
The Journal of Chemical Physics
|
September 23, 2020
Radical scavenging activity of natural antioxidants and drugs: Development of a combined machine learning and quantum chemistry protocol
Cecilia Muraro, Mirko Polato, Marco Bortoli, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 28, 2020
Multiscale modeling of reaction rates: application to archetypal S<sub>N</sub>2 nucleophilic substitutions
Jonathan Campeggio, Marco Bortoli, Laura Orian, et al.
Antioxidants (Basel, Switzerland)
|
August 13, 2020
Antioxidant Potential of Psychotropic Drugs: From Clinical Evidence to In Vitro and In Vivo Assessment and toward a New Challenge for in Silico Molecular Design
Giovanni Ribaudo, Marco Bortoli, Chiara Pavan, et al.
Molecules (Basel, Switzerland)
|
April 3, 2019
The <sup>125</sup>Te Chemical Shift of Diphenyl Ditelluride: Chasing Conformers over a Flat Energy Surface
Marco Bortoli, Marco Dalla Tiezza, Cecilia Muraro, et al.
Antioxidants (Basel, Switzerland)
|
February 25, 2023
Radical Scavenging Potential of Ginkgolides and Bilobalide: Insight from Molecular Modeling
Davide Zeppilli, Giovanni Ribaudo, Nicola Pompermaier, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 30, 2018
Nature and strength of chalcogen-π bonds
Marco Bortoli, Shah Masood Ahmad, Trevor A Hamlin, et al.
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of 3
Search research articles
Search
Showing results (1-10 of 30) with videos related to
Sort By:
Page
of 3
Molecules (Basel, Switzerland)
|
November 27, 2021
Drug Design: Where We Are and Future Prospects
Giuseppe Zagotto, Marco Bortoli
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 25, 2017
Role of the Chalcogen (S, Se, Te) in the Oxidation Mechanism of the Glutathione Peroxidase Active Site
Marco Bortoli, Mauro Torsello, F Matthias Bickelhaupt, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 11, 2022
Parameter free evaluation of S<sub>N</sub>2 reaction rates for halide substitution in halomethane
Marco Bortoli, Jonatan Campeggio, Laura Orian, et al.
Journal of Chemical Theory and Computation
|
April 21, 2016
Addition-Elimination or Nucleophilic Substitution? Understanding the Energy Profiles for the Reaction of Chalcogenolates with Dichalcogenides
Marco Bortoli, Lando P Wolters, Laura Orian, et al.
The Journal of Chemical Physics
|
September 23, 2020
Radical scavenging activity of natural antioxidants and drugs: Development of a combined machine learning and quantum chemistry protocol
Cecilia Muraro, Mirko Polato, Marco Bortoli, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 28, 2020
Multiscale modeling of reaction rates: application to archetypal S<sub>N</sub>2 nucleophilic substitutions
Jonathan Campeggio, Marco Bortoli, Laura Orian, et al.
Antioxidants (Basel, Switzerland)
|
August 13, 2020
Antioxidant Potential of Psychotropic Drugs: From Clinical Evidence to In Vitro and In Vivo Assessment and toward a New Challenge for in Silico Molecular Design
Giovanni Ribaudo, Marco Bortoli, Chiara Pavan, et al.
Molecules (Basel, Switzerland)
|
April 3, 2019
The <sup>125</sup>Te Chemical Shift of Diphenyl Ditelluride: Chasing Conformers over a Flat Energy Surface
Marco Bortoli, Marco Dalla Tiezza, Cecilia Muraro, et al.
Antioxidants (Basel, Switzerland)
|
February 25, 2023
Radical Scavenging Potential of Ginkgolides and Bilobalide: Insight from Molecular Modeling
Davide Zeppilli, Giovanni Ribaudo, Nicola Pompermaier, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 30, 2018
Nature and strength of chalcogen-π bonds
Marco Bortoli, Shah Masood Ahmad, Trevor A Hamlin, et al.
Page
of 3