Search research articles
Contact Us
Filters
Showing results (1-10 of 5) with videos related to
Page
of 1
Sort By:
Journal of Computational Chemistry
|
July 7, 2026
Reaction Enumeration Based on NBO-Informed Molecular Graphs
Javier E Alfonso-Ramos, Thijs Stuyver
Journal of Chemical Theory and Computation
|
February 2, 2025
Improving the Reliability of, and Confidence in, DFT Functional Benchmarking through Active Learning
Javier E Alfonso-Ramos, Carlo Adamo, Éric Brémond, et al.
Journal of Chemical Theory and Computation
|
September 11, 2025
CYCLO70: A New Challenging Pericyclic Benchmarking Set for Kinetics and Thermochemistry Evaluation
Javier E Alfonso-Ramos, Carlo Adamo, Éric Brémond, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 1, 2023
Combining Molecular Quantum Mechanical Modeling and Machine Learning for Accelerated Reaction Screening and Discovery
Nicholas Casetti, Javier E Alfonso-Ramos, Connor W Coley, et al.
The Journal of Chemical Physics
|
June 3, 2024
Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties
Luis A Montero-Cabrera, Ana L Montero-Alejo, Alan Aspuru-Guzik, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Computational Chemistry
|
July 7, 2026
Reaction Enumeration Based on NBO-Informed Molecular Graphs
Javier E Alfonso-Ramos, Thijs Stuyver
Journal of Chemical Theory and Computation
|
February 2, 2025
Improving the Reliability of, and Confidence in, DFT Functional Benchmarking through Active Learning
Javier E Alfonso-Ramos, Carlo Adamo, Éric Brémond, et al.
Journal of Chemical Theory and Computation
|
September 11, 2025
CYCLO70: A New Challenging Pericyclic Benchmarking Set for Kinetics and Thermochemistry Evaluation
Javier E Alfonso-Ramos, Carlo Adamo, Éric Brémond, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 1, 2023
Combining Molecular Quantum Mechanical Modeling and Machine Learning for Accelerated Reaction Screening and Discovery
Nicholas Casetti, Javier E Alfonso-Ramos, Connor W Coley, et al.
The Journal of Chemical Physics
|
June 3, 2024
Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties
Luis A Montero-Cabrera, Ana L Montero-Alejo, Alan Aspuru-Guzik, et al.
Page
of 1