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Javier E Alfonso-Ramos

Showing results (1-10 of 5) with videos related to

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Journal of Computational Chemistry|July 7, 2026
Reaction Enumeration Based on NBO-Informed Molecular GraphsJavier 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 LearningJavier 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 EvaluationJavier 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 DiscoveryNicholas 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 propertiesLuis A Montero-Cabrera, Ana L Montero-Alejo, Alan Aspuru-Guzik, et al.
Pageof 1

Showing results (1-10 of 5) with videos related to

Sort By:
Pageof 1
Journal of Computational Chemistry|July 7, 2026
Reaction Enumeration Based on NBO-Informed Molecular GraphsJavier 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 LearningJavier 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 EvaluationJavier 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 DiscoveryNicholas 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 propertiesLuis A Montero-Cabrera, Ana L Montero-Alejo, Alan Aspuru-Guzik, et al.
Pageof 1