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Guilian Luchini
Guilian Luchini
在 colostate.edu 的电子邮件经过验证
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引用次数
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GoodVibes: automated thermochemistry for heterogeneous computational chemistry data
G Luchini, JV Alegre-Requena, I Funes-Ardoiz, RS Paton
F1000Research 9 (291), 291, 2020
3162020
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
892021
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
292019
DBSTEP: DFT Based Steric Parameters
G Luchini, RS Paton
DOI, 2022
92022
Bobbypaton/GoodVibes: GoodVibes v3. 0.0
G Luchini, J Alegre-Requena, I Funes, J Rodríguez-Guerra, J Chen, ...
Zenodo, 2019
82019
GoodVibes: Automated Thermochemistry for Heterogeneous Computational Chemistry Data. F1000Research 2020, 9, 291
G Luchini, JV Alegre-Requena, I Funes-Ardoiz, RS Paton
7
GoodVibes
G Luchini, JV Alegre-Requena, Y Guan, I Funes-Ardoiz, RS Paton
GoodVibes 3.0 1, 2019
62019
F1000Research 2020, 9, 291
G Luchini, JV Alegre-Requena, I Funes-Ardoiz, RS Paton
GoodVibes version 3 (1), 0
6
Bottom-Up Atomistic Descriptions of Top-Down Macroscopic Measurements: Computational Benchmarks for Hammett Electronic Parameters
G Luchini, RS Paton
ACS Physical Chemistry Au 4 (3), 259-267, 2024
32024
GoodVibes: Automated Thermochemistry for Heterogeneous Computational Chemistry Data [Version 1; Peer Review: 2 Approved with Reservations]. F1000Research 2020, 9 (291)
G Luchini, J Alegre-Requena, I Funes-Ardoiz, R Paton
There is no corresponding record for this reference, 0
3
Digital Molecular Representations for Reaction Prediction and Optimization
GW Luchini
Colorado State University, 2023
2023
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
computational chemistry data [version 1; peer review: awaiting
G Luchini, JV Alegre-Requena, I Funes-Ardoiz, RS Paton
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