Rafael López Fernández

7PUBLICATIONS
10CO-AUTHORS
Bioinformatic methods developmentRadiation and matterTheoretical quantum chemistryMathematical aspects of general relativityStatistical mechanics in chemistry
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (7)

|Aug 21, 2026
Integrated Virtual Screening and Molecular Electrostatic Surface Potential Descriptors for Predicting BACE1 Inhibitor Interactions in Alzheimer's Disease.

|Nov 24, 2025
Reduced Serially Improved GTOs for Molecular Applications from H to Ar: Efficient Diffuse Functions in Augmented Basis Sets.

Ignacio Ema, Jesús San-Fabián, Guillermo Ramírez

|Aug 29, 2024
An Insight into the Molecular Electronic Structure of Graphene Oxides and Their Interactions with Molecules of Different Polarities Using Quantum Chemical and COSMO-RS Calculations.

Víctor R Ferro, Sonia Merino, Rafael Lopez

|Sep 25, 2023
The Challenge of ab Initio Calculations in Small Neon Clusters.

Ignacio Ema, Guillermo Ramírez, Rafael López

|Jun 26, 2023
Serially improved GTOs for molecular applications (SIGMA): Basis sets from H to Ne.

Ignacio Ema López, Guillermo Ramírez Moreno, Rafael López Fernández

|Jan 07, 2023
Accurate Hellmann-Feynman forces from density functional calculations with augmented Gaussian basis sets.

Shivesh Pathak, Ignacio Ema López, Alex J Lee

Pageof 2

Frequent Collaborators

4 joint publications

José Manuel García de la Vega

3 joint publications

Ignacio Ema López

2 joint publications

Guillermo Ramírez Moreno

1 joint publications

Jesús San Fabián