Saulo A. Vázquez

ScholarGPS® ID: 21151341563090

Affiliation

University of Santiago de Compostela, Santiago de Compostela, Spain

Affiliation History

Field

Physical Sciences and Mathematics

Discipline

Chemistry

Top Specialties

Metrics Summary

Publication Count

104

Predicted Citations

2,584

Predicted h-index

Ranking

Publications and Citation History

Publications based on Top Specialties

Types of Publication

Publications
Books
Patents
NIH/NSF

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Exploring unimolecular reactions in disilanol and ethanol: Insights and challenges (journal article) Vázquez, Saulo A. \| Martínez-Núñez, Emilio \| Preston, Thomas J. Theoretical Chemistry Accounts, volume 142, issue 12 (2023). 10.1007/s00214-023-03062-0 Cite \| Source
Functional group corrections to the GFN2-xTB and PM6 semiempirical methods for noncovalent interactions in alkanes and alkenes (journal article) Cabaleiro-Lago, Enrique M. \| Fernández, Berta \| Rodríguez-Fernández, Roberto \| Rodríguez-Otero, Jesús \| Vázquez, Saulo A. The Journal of Chemical Physics, volume 158, issue 12 (2023). 10.1063/5.0140668 Cited by (1) \| Cite \| Source
Electrostatic penetration effects stand at the heart of aromatic π interactions (journal article) Cabaleiro-Lago, Enrique M. \| Rodríguez-Otero, Jesús \| Vázquez, Saulo A. Physical Chemistry Chemical Physics, volume 24, issue 15, pages 8979-8991 (2022). 10.1039/D2CP00714B Cited by (5) \| Cite \| Source
The PM6-FGC Method: Improved Corrections for Amines and Amides (journal article) Ríos-García, Martiño \| Fernández, Berta \| Rodríguez-Otero, Jesús \| Cabaleiro-Lago, Enrique M. \| Vázquez, Saulo A. Molecules, volume 27, issue 5, pages 1678- (2022). 10.3390/molecules27051678 Cited by (2) \| Cite \| Source
AutoMeKin2021 : An open‐source program for automated reaction discovery (journal article) Martínez‐Núñez, Emilio \| Barnes, George L. \| Glowacki, David R. \| Kopec, Sabine \| Peláez, Daniel \| Rodríguez, Aurelio \| Rodríguez‐Fernández, Roberto \| Shannon, Robin J. \| Stewart, James J. P. \| Tahoces, Pablo G. \| Vazquez, Saulo A. Journal of Computational Chemistry, volume 42, issue 28, pages 2036-2048 (2021). 10.1002/jcc.26734 Cited by (50) \| Cite \| Source
New Approach for Correcting Noncovalent Interactions in Semiempirical Quantum Mechanical Methods: The Importance of Multiple-Orientation Sampling (journal article) Pérez-Tabero, Sergio \| Fernández, Berta \| Cabaleiro-Lago, Enrique M. \| Martínez-Núñez, Emilio \| Vázquez, Saulo A. Journal of Chemical Theory and Computation, volume 17, issue 9, pages 5556-5567 (2021). 10.1021/acs.jctc.1c00365 Cited by (6) \| Cite \| Source
Vibrational Energy Relaxation of Deuterium Fluoride in d -Dichloromethane: Insights from Different Potentials (journal article) Zhang, Xiaoyong \| Vázquez, Saulo A. \| Harvey, Jeremy N. Journal of Chemical Theory and Computation, volume 17, issue 3, pages 1277-1289 (2021). 10.1021/acs.jctc.0c01059 Cited by (2) \| Cite \| Source
The relative position of π–π interacting rings notably changes the nature of the substituent effect (journal article) Cabaleiro-Lago, Enrique M. \| Rodríguez-Otero, Jesús \| Vázquez, Saulo A. Physical Chemistry Chemical Physics, volume 22, issue 21, pages 12068-12081 (2020). 10.1039/D0CP01253J Cited by (6) \| Cite \| Source
A Trajectory-Based Method to Explore Reaction Mechanisms (journal article) Vázquez, Saulo A. \| Otero, Xose L. \| Martinez-Nunez, Emilio Molecules, volume 23, issue 12, pages 3156- (2018). 10.3390/molecules23123156 Cited by (34) \| Cite \| Source
Influence of Multiple Conformations and Paths on Rate Constants and Product Branching Ratios. Thermal Decomposition of 1-Propanol Radicals (journal article) Ferro-Costas, David \| Martínez-Núñez, Emilio \| Rodríguez-Otero, Jesús \| Cabaleiro-Lago, Enrique \| Estévez, Carlos M. \| Fernández, Berta \| Fernández-Ramos, Antonio \| Vázquez, Saulo A. The Journal of Physical Chemistry A, volume 122, issue 21, pages 4790-4800 (2018). 10.1021/acs.jpca.8b02949 Cited by (37) \| Cite \| Source
Is Photolytic Production a Viable Source of HCN and HNC in Astrophysical Environments? A Laboratory-based Feasibility Study of Methyl Cyanoformate (journal article) Wilhelm, Michael J. \| Martínez-Núñez, Emilio \| González-Vázquez, Jesús \| Vázquez, Saulo A. \| Smith, Jonathan M. \| Dai, Hai-Lung The Astrophysical Journal, volume 849, issue 1, pages 15- (2017). 10.3847/1538-4357/aa8ea7 Cited by (21) \| Cite \| Source
GAFit: A general-purpose, user-friendly program for fitting potential energy surfaces (journal article) Rodríguez-Fernández, Roberto \| Pereira, Francisco B. \| Marques, Jorge M.C. \| Martínez-Núñez, Emilio \| Vázquez, Saulo A. Computer Physics Communications, volume 217 (2017). 10.1016/j.cpc.2017.02.008 Cited by (19) \| Cite \| Source
Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces (journal article) Spezia, Riccardo \| Martínez-Nuñez, Emilio \| Vazquez, Saulo \| Hase, William L. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, volume 375, issue 2092, pages 20170035- (2017). 10.1098/rsta.2017.0035 Cited by (20) \| Cite \| Source \| Open Access
An automated method to find reaction mechanisms and solve the kinetics in organometallic catalysis (journal article) Varela, J. A. \| Vázquez, S. A. \| Martínez-Núñez, E. Chemical Science, volume 8, issue 5, pages 3843-3851 (2017). 10.1039/C7SC00549K Cited by (87) \| Cite \| Source \| Open Access
Relevance of weak intermolecular forces on the supramolecular structure of free or DMSO solvated 5-(4-X-benzylidene)rhodanines (X = F, Cl, Br, I) (journal article) Casas, José S. \| Castaño, M. Victoria \| Couce, María D. \| Sánchez, Agustín \| Sordo, José \| Torres, M. Dolores \| Vázquez, Saulo A. \| Vázquez-López, Ezequiel M. Journal of Molecular Structure, volume 1120 (2016). 10.1016/j.molstruc.2016.05.010 Cited by (1) \| Cite \| Source
Photodissociation of acryloyl chloride at 193 nm: interpretation of the product energy distributions, and new elimination pathways (journal article) Pérez-Soto, Raúl \| Vázquez, Saulo A. \| Martínez-Núñez, Emilio Physical Chemistry Chemical Physics, volume 18, issue 6, pages 5019-5026 (2016). 10.1039/C5CP07759A Cited by (12) \| Cite \| Source
Molecular dynamics simulations for designing biomimetic pores based on internally functionalized self-assembling α,γ-peptide nanotubes (journal article) Calvelo, Martín \| Vázquez, Saulo \| García-Fandiño, Rebeca Physical Chemistry Chemical Physics, volume 17, issue 43, pages 28586-28601 (2015). 10.1039/C5CP04200C Cited by (9) \| Cite \| Source
HCN elimination from vinyl cyanide: product energy partitioning, the role of hydrogen–deuterium exchange reactions and a new pathway (journal article) Vázquez, Saulo A. \| Martínez-Núñez, Emilio Physical Chemistry Chemical Physics, volume 17, issue 10, pages 6948-6955 (2015). 10.1039/C4CP05626D Cited by (29) \| Cite \| Source
Recent applications of boxed molecular dynamics: a simple multiscale technique for atomistic simulations (journal article) Booth, Jonathan \| Vazquez, Saulo \| Martinez-Nunez, Emilio \| Marks, Alison \| Rodgers, Jeff \| Glowacki, David R. \| Shalashilin, Dmitrii V. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, volume 372, issue 2021, pages 20130384- (2014). 10.1098/rsta.2013.0384 Cited by (23) \| Cite \| Source \| Open Access
Direct and Indirect Hydrogen Abstraction in Cl + Alkene Reactions (journal article) Preston, Thomas J. \| Dunning, Greg T. \| Orr-Ewing, Andrew J. \| Vázquez, Saulo A. The Journal of Physical Chemistry A, volume 118, issue 30, pages 5595-5607 (2014). 10.1021/jp5042734 Cited by (22) \| Cite \| Source \| Open Access