| GoodVibes: automated thermochemistry for heterogeneous computational chemistry data G Luchini, JV Alegre-Requena, I Funes-Ardoiz, RS Paton F1000Research 9 (291), 291, 2020 | 273 | 2020 |
| Importance of engineered and learned molecular representations in predicting organic reactivity, selectivity, and chemical properties LC Gallegos, G Luchini, PC St. John, S Kim, RS Paton Accounts of Chemical Research 54 (4), 827-836, 2021 | 78 | 2021 |
| Data-mining the diaryl (thio) urea conformational landscape: understanding the contrasting behavior of ureas and thioureas with quantum chemistry G Luchini, DMH Ascough, JV Alegre-Requena, V Gouverneur, RS Paton Tetrahedron 75 (6), 697-702, 2019 | 28 | 2019 |
| DBSTEP: DFT Based Steric Parameters G Luchini, RS Paton DOI, 2022 | 8 | 2022 |
| Bobbypaton/GoodVibes: GoodVibes v3. 0.0 G Luchini, J Alegre-Requena, I Funes, J Rodríguez-Guerra, J Chen, ... Zenodo, 2019 | 7 | 2019 |
| GoodVibes: Automated Thermochemistry for Heterogeneous Computational Chemistry Data. F1000Research 2020, 9, 291 G Luchini, JV Alegre-Requena, I Funes-Ardoiz, RS Paton | 6 | |
| GoodVibes G Luchini, JV Alegre-Requena, Y Guan, I Funes-Ardoiz, RS Paton GoodVibes 3.0 1, 2019 | 5 | 2019 |
| F1000Research 2020, 9, 291 G Luchini, JV Alegre-Requena, I Funes-Ardoiz, RS Paton GoodVibes version 3 (1), 0 | 5 | |
| Bottom-Up Atomistic Descriptions of Top-Down Macroscopic Measurements: Computational Benchmarks for Hammett Electronic Parameters G Luchini, RS Paton ACS Physical Chemistry Au, 2024 | 1 | 2024 |
| Applying commonly overlooked corrections to DFT frequency calculations with GoodVibes G Luchini, R Paton ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Digital molecular representations for reaction prediction and optimization GW Luchini, RS Paton, AK Rappé, JS Bandar, PD Shipman Colorado State University. Libraries, 0 | | |
| computational chemistry data [version 1; peer review: awaiting G Luchini, JV Alegre-Requena, I Funes-Ardoiz, RS Paton | | |
Robert PatonFixman Ladanyi Professor of Chemistry, Colorado State University確認したメール アドレス: colostate.edu
