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Proceedings of the National Academy of Sciences of the United States of America
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February 16, 2019
Microscopic description of acid-base equilibrium
Emanuele Grifoni, GiovanniMaria Piccini, Michele Parrinello
Journal of Chemical Theory and Computation
|
August 29, 2020
Tautomeric Equilibrium in Condensed Phases
Emanuele Grifoni, GiovanniMaria Piccini, Michele Parrinello
Proceedings of the National Academy of Sciences of the United States of America
|
October 28, 2021
Deep learning the slow modes for rare events sampling
Luigi Bonati, GiovanniMaria Piccini, Michele Parrinello
Journal of Chemical Theory and Computation
|
September 18, 2018
Metadynamics with Discriminants: A Tool for Understanding Chemistry
GiovanniMaria Piccini, Dan Mendels, Michele Parrinello
Journal of the American Chemical Society
|
February 8, 2023
Supramolecular Capsule-Catalyzed Highly β-Selective Furanosylation Independent of the S<sub>N</sub>1/S<sub>N</sub>2 Reaction Pathway
Tian-Ren Li, GiovanniMaria Piccini, Konrad Tiefenbacher
Physical Chemistry Chemical Physics : PCCP
|
August 28, 2019
The reaction mechanism of the azide-alkyne Huisgen cycloaddition
Martina Danese, Marta Bon, GiovanniMaria Piccini, et al.
Journal of the American Chemical Society
|
October 18, 2016
Ab Initio Prediction of Adsorption Isotherms for Small Molecules in Metal-Organic Frameworks
Arpan Kundu, GiovanniMaria Piccini, Kaido Sillar, et al.
Organic & Biomolecular Chemistry
|
April 28, 2021
Understanding the binding properties of phosphorylated glycoluril-derived molecular tweezers and selective nanomolar binding of natural polyamines in aqueous solution
Michael Heilmann, Melina Knezevic, GiovanniMaria Piccini, et al.
Journal of the American Chemical Society
|
February 8, 2020
Requirements for Terpene Cyclizations inside the Supramolecular Resorcinarene Capsule: Bound Water and Its Protonation Determine the Catalytic Activity
Severin Merget, Lorenzo Catti, GiovanniMaria Piccini, et al.
Journal of Computational Chemistry
|
November 7, 2019
A metadynamics perspective on the reduction mechanism of the Pt(IV) asplatin prodrug
Fortuna Ponte, GiovanniMaria Piccini, Emilia Sicilia, et al.
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of 4
Search research articles
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Showing results (11-20 of 34) with videos related to
Sort By:
Page
of 4
Proceedings of the National Academy of Sciences of the United States of America
|
February 16, 2019
Microscopic description of acid-base equilibrium
Emanuele Grifoni, GiovanniMaria Piccini, Michele Parrinello
Journal of Chemical Theory and Computation
|
August 29, 2020
Tautomeric Equilibrium in Condensed Phases
Emanuele Grifoni, GiovanniMaria Piccini, Michele Parrinello
Proceedings of the National Academy of Sciences of the United States of America
|
October 28, 2021
Deep learning the slow modes for rare events sampling
Luigi Bonati, GiovanniMaria Piccini, Michele Parrinello
Journal of Chemical Theory and Computation
|
September 18, 2018
Metadynamics with Discriminants: A Tool for Understanding Chemistry
GiovanniMaria Piccini, Dan Mendels, Michele Parrinello
Journal of the American Chemical Society
|
February 8, 2023
Supramolecular Capsule-Catalyzed Highly β-Selective Furanosylation Independent of the S<sub>N</sub>1/S<sub>N</sub>2 Reaction Pathway
Tian-Ren Li, GiovanniMaria Piccini, Konrad Tiefenbacher
Physical Chemistry Chemical Physics : PCCP
|
August 28, 2019
The reaction mechanism of the azide-alkyne Huisgen cycloaddition
Martina Danese, Marta Bon, GiovanniMaria Piccini, et al.
Journal of the American Chemical Society
|
October 18, 2016
Ab Initio Prediction of Adsorption Isotherms for Small Molecules in Metal-Organic Frameworks
Arpan Kundu, GiovanniMaria Piccini, Kaido Sillar, et al.
Organic & Biomolecular Chemistry
|
April 28, 2021
Understanding the binding properties of phosphorylated glycoluril-derived molecular tweezers and selective nanomolar binding of natural polyamines in aqueous solution
Michael Heilmann, Melina Knezevic, GiovanniMaria Piccini, et al.
Journal of the American Chemical Society
|
February 8, 2020
Requirements for Terpene Cyclizations inside the Supramolecular Resorcinarene Capsule: Bound Water and Its Protonation Determine the Catalytic Activity
Severin Merget, Lorenzo Catti, GiovanniMaria Piccini, et al.
Journal of Computational Chemistry
|
November 7, 2019
A metadynamics perspective on the reduction mechanism of the Pt(IV) asplatin prodrug
Fortuna Ponte, GiovanniMaria Piccini, Emilia Sicilia, et al.
Page
of 4