Robert Pollice
Title
Cited by
Cited by
Year
Attenuation of London Dispersion in Dichloromethane Solutions
R Pollice, M Bot, IJ Kobylianskii, I Shenderovich, P Chen
Journal of the American Chemical Society 139 (37), 13126-13140, 2017
642017
Data-driven strategies for accelerated materials design
R Pollice, G dos Passos Gomes, M Aldeghi, RJ Hickman, M Krenn, ...
Accounts of Chemical Research 54 (4), 849-860, 2021
292021
A Universal Quantitative Descriptor of the Dispersion Interaction Potential
R Pollice, P Chen
Angewandte Chemie International Edition 58 (29), 9758-9769, 2019
232019
Quaternary Ammonium Salts as Alkylating Reagents in C–H Activation Chemistry
M Spettel, R Pollice, M Schnürch
Organic letters 19 (16), 4287-4290, 2017
232017
Beyond generative models: Superfast traversal, optimization, novelty, exploration and discovery (STONED) algorithm for molecules using SELFIES
AK Nigam, R Pollice, M Krenn, G dos Passos Gomes, A Aspuru-Guzik
Chemical Science, 2021
192021
Origin of the Immiscibility of Alkanes and Perfluoroalkanes
R Pollice, P Chen
Journal of the American Chemical Society 141 (8), 3489-3506, 2019
192019
Navigating through the maze of homogeneous catalyst design with machine learning
G dos Passos Gomes, R Pollice, A Aspuru-Guzik
Trends in Chemistry, 2021
152021
Mechanistic and Kinetic Studies of the Direct Alkylation of Benzylic Amines: A Formal C(sp3)–H Activation Proceeds Actually via a C(sp2)–H Activation Pathway
R Pollice, N Dastbaravardeh, N Marquise, MD Mihovilovic, M Schnürch
ACS catalysis 5 (2), 587-595, 2015
152015
A comprehensive discovery platform for organophosphorus ligands for catalysis
T Gensch, G dos Passos Gomes, P Friederich, E Peters, T Gaudin, ...
112021
Organic molecules with inverted gaps between first excited singlet and triplet states and appreciable fluorescence rates
R Pollice, P Friederich, C Lavigne, G dos Passos Gomes, A Aspuru-Guzik
Matter 4 (5), 1654-1682, 2021
92021
Compensation of London Dispersion in the Gas Phase and in Aprotic Solvents
R Pollice, F Fleckenstein, I Shenderovich, P Chen
Angewandte Chemie International Edition 58 (40), 14281-14288, 2019
82019
Assigning confidence to molecular property prediction
AK Nigam, R Pollice, MFD Hurley, RJ Hickman, M Aldeghi, N Yoshikawa, ...
Expert Opinion on Drug Discovery, 1-15, 2021
72021
Expansion of the Concept of Nonlinear Effects in Catalytic Reactions Beyond Asymmetric Catalysis
R Pollice, M Schnürch
Chemistry-A European Journal 22 (16), 5637-5642, 2016
72016
JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design
AK Nigam, R Pollice, A Aspuru-Guzik
arXiv preprint arXiv:2106.04011, 2021
52021
Investigations into the Kinetic Modeling of the Direct Alkylation of Benzylic Amines: Dissolution of K2CO3 Is Responsible for the Observation of an Induction Period
R Pollice, M Schnürch
The Journal of organic chemistry 80 (16), 8268-8274, 2015
52015
Investigations of the generality of quaternary ammonium salts as alkylating agents in direct C–H alkylation reactions: solid alternatives for gaseous olefins
D Schönbauer, M Spettel, R Pollice, E Pittenauer, M Schnürch
Organic & Biomolecular Chemistry 17 (16), 4024-4030, 2019
32019
Automatic discovery of chemical reactions using imposed activation
C Lavigne, G dos Passos Gomes, R Pollice, A Aspuru-Guzik
22020
Rhodium-catalyzed direct alkylation of benzylic amines using alkyl bromides
M Anschuber, R Pollice, M Schnürch
Monatshefte für Chemie-Chemical Monthly 150 (1), 127-138, 2019
22019
A General Fitting Function to Estimate Apparent Reaction Orders of Kinetic Profiles
R Pollice
2019
London Dispersion in Molecular Systems
R Pollice
ETH Zurich, 2019
2019
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Articles 1–20