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Alberto Vela

Instituto Politécnico Nacional

42H指数
237论文数
7.5K被引数
收录论文 48
发表时间
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PyCRDFT: A Python package to evaluate chemical reactivity descriptors within conceptual DFT (vol. 138, 23, 2026)PyCRDFT：一个用于在概念密度泛函理论中评估化学活性描述符的Python软件包（卷138，23，2026）
errJournal of Chemical Sciences
IF2
err2026-05-01
err0
PREAI
errGuerrero-Gutierrez, Oscar Xavier; Acosta-Garcia, Ashley; Vela, Alberto
err分享
err收藏
Generalized quadratic model for charge transfer电荷转移的广义二次模型
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2025-01-01
err0
errOAAI
errAlbavera-Mata, Angel; Gazquez, Jose Luis; Vela, Alberto
err分享
err收藏
Temperature and external fields in conceptual density functional theory
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err0
errOAAI
errFranco-Perez, Marco; Heidar-Zadeh, Farnaz; Ayers, Paul W.; De Proft, Frank; Vela, Alberto; Gazquez, Jose L.; Geerlings, Paul
err分享
err收藏
Introducing I-/formic acid as a green reagent for the reduction of sulfinates and sulfoxides
errGREEN CHEMISTRY
IF9.2
err2023-01-01
err5
errOAAI
errArmando Lujan-Montelongo, J.; de la Cuesta, Luis Javier Garcia; Cruz-Jimenez, Alicia E.; Hernandez, Perla; Vela, Alberto
err分享
err收藏
Hardness of molecules and bandgap of solids from a generalized gradient approximation exchange energy functional (vol 157, 114109, 2022)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-10-10
err0
errOAAI
errCarmona-Espindola, Javier; Flores, Anaid; Gazquez, Jose L.; Vela, Alberto; Trickey, S. B.
err分享
err收藏
Hardness of molecules and bandgap of solids from a generalized gradient approximation exchange energy functional
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-09-20
err5
PREAI
errCarmona-Espindola, Javier; Flores, Anaid; Gazquez, Jose L.; Vela, Alberto; Trickey, S. B.
err分享
err收藏
Tryptophan regulates Drosophila zinc stores
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2022-04-11
err22
errOAAI
errGaray, Erika; Schuth, Nils; Barbanente, Alessandra; Tejeda-Guzman, Carlos; Vitone, Daniele; Osorio, Beatriz; Clark, Adam H.; Nachtegaal, Maarten; Haumann, Michael; Dau, Holger; Vela, Alberto; Arnesano, Fabio; Quintanar, Liliana; Missirlis, Fanis
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Generalized gradient approximations with local parameters具有局部参数的广义梯度逼近
errPHYSICAL REVIEW B
IF3.7
err2020-07-16
err12
errOAAI
errAlbavera-Mata, Angel; Botello-Mancilla, Karla; Trickey, S. B.; Gazquez, Jose L.; Vela, Alberto
err分享
err收藏
Generalized Gradient Approximation Exchange Energy Functional with Near-Best Semilocal Performance
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-11-27
err24
PREAI
errCarmona-Espindola, Javier; Gazquez, Jose L.; Vela, Alberto; Trickey, S. B.
err分享
err收藏
Chemical hardness: Temperature dependent definitions and reactivity principles
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-09-28
err17
PREAI
errMiranda-Quintana, Ramon Alain; Franco-Perez, Marco; Gazquez, Jose L.; Ayers, Paul W.; Vela, Alberto
err分享
err收藏
Thermodynamic Justification for the Parabolic Model for Reactivity Indicators with Respect to Electron Number and a Rigorous Definition for the Electrophilicity: The Essential Role Played by the Electronic Entropy
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-01-18
err25
PREAI
errFranco-Perez, Marco; Gazquez, Jose L.; Ayers, Paul W.; Vela, Alberto
err分享
err收藏
Thermodynamic responses of electronic systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-09-06
err21
PREAI
errFranco-Perez, Marco; Ayers, Paul W.; Gazquez, Jose L.; Vela, Alberto
err分享
err收藏
Thermodynamic hardness and the maximum hardness principle
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-08-18
err22
PREAI
errFranco-Perez, Marco; Gazquez, Jose L.; Ayers, Paul W.; Vela, Alberto
err分享
err收藏
Theoretical approach to the conformational analyses of dithiazinane, thiadiazinane and triazinane, their N-borane adducts and N-H cations
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2016-06-01
err8
PREAI
errSuarez-Moreno, Galdina V.; Xotlanihua-Flores, Alfonso; Vela, Alberto; Contreras, Rosalinda; Flores-Parra, Angelina
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Spectroscopic and Theoretical Study of CuI Binding to His111 in the Human Prion Protein Fragment 106-115
errINORGANIC CHEMISTRY
IF4.7
err2016-03-01
err22
errOAAI
errArcos-Lopez, Trinidad; Qayyum, Munzarin; Rivillas-Acevedo, Lina; Miotto, Marco C.; Grande-Aztatzi, Rafael; Fernandez, Claudio O.; Hedman, Britt; Hodgson, Keith O.; Vela, Alberto; Solomon, Edward I.; Quintanar, Liliana
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Local and linear chemical reactivity response functions at finite temperature in density functional theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-12-29
err57
PREAI
errFranco-Perez, Marco; Ayers, Paul W.; Gazquez, Jose L.; Vela, Alberto
err分享
err收藏
Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-10-19
err82
PREAI
errFranco-Perez, Marco; Gazquez, Jose L.; Ayers, Paul W.; Vela, Alberto
err分享
err收藏
Electronic chemical response indexes at finite temperature in the canonical ensemble
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-07-14
err15
PREAI
errFranco-Perez, Marco; Gazquez, Jose L.; Vela, Alberto
err分享
err收藏
Generalized gradient approximation exchange energy functional with correct asymptotic behavior of the corresponding potential
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-02-04
err45
PREAI
errCarmona-Espindola, Javier; Gazquez, Jose L.; Vela, Alberto; Trickey, S. B.
err分享
err收藏
Tuberculosis case finding based on symptom screening among immigrants, refugees and asylum seekers in Rome
errBMC PUBLIC HEALTH
IF3.6
err2013-09-22
err9
errOAAI
errSchepisi, Monica Sane; Gualano, Gina; Fellus, Claudia; Bevilacqua, Nazario; Vecchi, Marco; Piselli, Pierluca; Battagin, Giuliana; Silvestrini, Giulia; Attanasio, Andrea; Vela, Alberto; Rocca, Giorgia; Rinaldi, Alessandro; Benedetti, Pietro; Geraci, Salvatore; Lauria, Francesco Nicola; Girardi, Enrico
err分享
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研究方向

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