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Ramón Alain Miranda Quintana
Ramón Alain Miranda Quintana
Department of Chemistry, University of Florida
在 chem.ufl.edu 的电子邮件经过验证 - 首页
标题
引用次数
引用次数
年份
Fractional electron number, temperature, and perturbations in chemical reactions
RA Miranda-Quintana, PW Ayers
Physical Chemistry Chemical Physics 18 (22), 15070-15080, 2016
752016
pH dependence of chlordecone adsorption on activated carbons and role of adsorbent physico-chemical properties
A Durimel, S Altenor, R Miranda-Quintana, PC Du Mesnil, ...
Chemical Engineering Journal 229, 239-249, 2013
58*2013
An explicit approach to conceptual density functional theory descriptors of arbitrary order
F Heidar-Zadeh, M Richer, S Fias, RA Miranda-Quintana, M Chan, ...
Chemical Physics Letters 660, 307-312, 2016
572016
Electronegativity and redox reactions
RA Miranda-Quintana, MM González, PW Ayers
Physical Chemistry Chemical Physics 18 (32), 22235-22243, 2016
522016
Note: The minimum electrophilicity and the hard/soft acid/base principles
RA Miranda-Quintana
The Journal of Chemical Physics 146 (4), 2017
492017
Elementary derivation of the “| Δμ| big is good” rule
RA Miranda-Quintana, F Heidar-Zadeh, PW Ayers
The Journal of Physical Chemistry Letters 9 (15), 4344-4348, 2018
482018
When is the Fukui function not normalized? The danger of inconsistent energy interpolation models in density functional theory
F Heidar-Zadeh, RA Miranda-Quintana, T Verstraelen, P Bultinck, ...
Journal of Chemical Theory and Computation 12 (12), 5777-5787, 2016
462016
Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 1: Theory and characteristics
RA Miranda-Quintana, D Bajusz, A Rácz, K Héberger
Journal of cheminformatics 13 (1), 1-18, 2021
452021
Interpolation of property-values between electron numbers is inconsistent with ensemble averaging
RA Miranda-Quintana, PW Ayers
The Journal of Chemical Physics 144 (24), 2016
442016
The “| Δμ| big is good” rule, the maximum hardness, and minimum electrophilicity principles
RA Miranda-Quintana, PW Ayers
Theoretical Chemistry Accounts 138, 1-6, 2019
412019
Finite temperature grand canonical ensemble study of the minimum electrophilicity principle
RA Miranda-Quintana, PK Chattaraj, PW Ayers
The Journal of Chemical Physics 147 (12), 2017
382017
Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 2: speed, consistency, diversity selection
RA Miranda-Quintana, D Bajusz, A Rácz, K Héberger
Journal of cheminformatics 13 (1), 2021
362021
Calculation of donor numbers: Computational estimates for the Lewis basicity of solvents
RA Miranda-Quintana, J Smiatek
Journal of Molecular Liquids 322, 114506, 2021
352021
Charge transfer and chemical potential in 1, 3-dipolar cycloadditions
RA Miranda-Quintana, PW Ayers
Theoretical Chemistry Accounts 135 (7), 172, 2016
342016
Machine learning models for classification tasks related to drug safety
A Rácz, D Bajusz, RA Miranda-Quintana, K Héberger
Molecular Diversity 25 (3), 1409-1424, 2021
332021
Note: Maximum hardness and minimum electrophilicity principles
RA Miranda-Quintana, PW Ayers
The Journal of Chemical Physics 148 (19), 2018
332018
Diversity and chemical library networks of large data sets
TB Dunn, GM Seabra, TD Kim, KE Juárez-Mercado, C Li, ...
Journal of Chemical Information and Modeling 62 (9), 2186-2201, 2021
322021
The HSAB principle from a finite-temperature grand-canonical perspective
RA Miranda-Quintana, TD Kim, C Cárdenas, PW Ayers
Theoretical Chemistry Accounts 136, 1-6, 2017
322017
Perturbed reactivity descriptors: the chemical hardness
RA Miranda-Quintana
Theoretical Chemistry Accounts 136 (7), 76, 2017
322017
Communication: Two types of flat-planes conditions in density functional theory
XD Yang, AHG Patel, RA Miranda-Quintana, F Heidar-Zadeh, ...
The Journal of Chemical Physics 145 (3), 2016
322016
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