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Chemical Science
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December 22, 2022
Guided discovery of chemical reaction pathways with imposed activation
Cyrille Lavigne, Gabe Gomes, Robert Pollice, et al.
Chemical Science
|
February 16, 2024
Artificial design of organic emitters <i>via</i> a genetic algorithm enhanced by a deep neural network
AkshatKumar Nigam, Robert Pollice, Pascal Friederich, et al.
Organic & Biomolecular Chemistry
|
April 6, 2019
Investigations of the generality of quaternary ammonium salts as alkylating agents in direct C-H alkylation reactions: solid alternatives for gaseous olefins
David Schönbauer, Manuel Spettel, Robert Pollice, et al.
Journal of the American Chemical Society
|
August 22, 2017
Attenuation of London Dispersion in Dichloromethane Solutions
Robert Pollice, Marek Bot, Ilia J Kobylianskii, et al.
ACS Catalysis
|
April 4, 2015
Mechanistic and Kinetic Studies of the Direct Alkylation of Benzylic Amines: A Formal C(sp<sup>3</sup>)-H Activation Proceeds Actually via a C(sp<sup>2</sup>)-H Activation Pathway
Robert Pollice, Navid Dastbaravardeh, Nada Marquise, et al.
The Journal of Chemical Physics
|
March 15, 2023
Inverse molecular design and parameter optimization with Hückel theory using automatic differentiation
Rodrigo A Vargas-Hernández, Kjell Jorner, Robert Pollice, et al.
The Journal of Physical Chemistry. B
|
June 13, 2025
Solvation Free Energies of Ion Dissociations in Dichloromethane: En Route to Accurate Computations
Adélaïde Savoy, Eno Paenurk, Robert Pollice, et al.
Chemical Science
|
June 14, 2021
Beyond generative models: superfast traversal, optimization, novelty, exploration and discovery (STONED) algorithm for molecules using SELFIES
AkshatKumar Nigam, Robert Pollice, Mario Krenn, et al.
Digital Discovery
|
November 28, 2023
Recent advances in the self-referencing embedded strings (SELFIES) library
Alston Lo, Robert Pollice, AkshatKumar Nigam, et al.
ACS Applied Materials & Interfaces
|
May 10, 2024
Computational Investigations of the Detailed Mechanism of Reverse Intersystem Crossing in Inverted Singlet-Triplet Gap Molecules
Danillo Valverde, Cher Tian Ser, Gaetano Ricci, et al.
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Search research articles
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Showing results (11-20 of 32) with videos related to
Sort By:
Page
of 4
Chemical Science
|
December 22, 2022
Guided discovery of chemical reaction pathways with imposed activation
Cyrille Lavigne, Gabe Gomes, Robert Pollice, et al.
Chemical Science
|
February 16, 2024
Artificial design of organic emitters <i>via</i> a genetic algorithm enhanced by a deep neural network
AkshatKumar Nigam, Robert Pollice, Pascal Friederich, et al.
Organic & Biomolecular Chemistry
|
April 6, 2019
Investigations of the generality of quaternary ammonium salts as alkylating agents in direct C-H alkylation reactions: solid alternatives for gaseous olefins
David Schönbauer, Manuel Spettel, Robert Pollice, et al.
Journal of the American Chemical Society
|
August 22, 2017
Attenuation of London Dispersion in Dichloromethane Solutions
Robert Pollice, Marek Bot, Ilia J Kobylianskii, et al.
ACS Catalysis
|
April 4, 2015
Mechanistic and Kinetic Studies of the Direct Alkylation of Benzylic Amines: A Formal C(sp<sup>3</sup>)-H Activation Proceeds Actually via a C(sp<sup>2</sup>)-H Activation Pathway
Robert Pollice, Navid Dastbaravardeh, Nada Marquise, et al.
The Journal of Chemical Physics
|
March 15, 2023
Inverse molecular design and parameter optimization with Hückel theory using automatic differentiation
Rodrigo A Vargas-Hernández, Kjell Jorner, Robert Pollice, et al.
The Journal of Physical Chemistry. B
|
June 13, 2025
Solvation Free Energies of Ion Dissociations in Dichloromethane: En Route to Accurate Computations
Adélaïde Savoy, Eno Paenurk, Robert Pollice, et al.
Chemical Science
|
June 14, 2021
Beyond generative models: superfast traversal, optimization, novelty, exploration and discovery (STONED) algorithm for molecules using SELFIES
AkshatKumar Nigam, Robert Pollice, Mario Krenn, et al.
Digital Discovery
|
November 28, 2023
Recent advances in the self-referencing embedded strings (SELFIES) library
Alston Lo, Robert Pollice, AkshatKumar Nigam, et al.
ACS Applied Materials & Interfaces
|
May 10, 2024
Computational Investigations of the Detailed Mechanism of Reverse Intersystem Crossing in Inverted Singlet-Triplet Gap Molecules
Danillo Valverde, Cher Tian Ser, Gaetano Ricci, et al.
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of 4