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Ramón Alain Miranda Quintana
Ramón Alain Miranda Quintana
Department of Chemistry, University of Florida
Dirección de correo verificada de chem.ufl.edu - Página principal
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Fractional electron number, temperature, and perturbations in chemical reactions
RA Miranda-Quintana, PW Ayers
Physical Chemistry Chemical Physics 18 (22), 15070-15080, 2016
612016
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
53*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
452016
Interpolation of property-values between electron numbers is inconsistent with ensemble averaging
RA Miranda-Quintana, PW Ayers
The Journal of Chemical Physics 144 (24), 244112, 2016
422016
Electronegativity and redox reactions
RA Miranda-Quintana, MM González, PW Ayers
Physical Chemistry Chemical Physics 18 (32), 22235-22243, 2016
412016
Note: The minimum electrophilicity and the hard/soft acid/base principles
RA Miranda-Quintana
The Journal of Chemical Physics 146 (4), 046101, 2017
372017
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
362016
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
332018
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), 124103, 2017
312017
Charge transfer and chemical potential in 1, 3-dipolar cycloadditions
RA Miranda-Quintana, PW Ayers
Theoretical Chemistry Accounts 135 (7), 1-8, 2016
312016
Thermodynamic electrophilicity
RA Miranda-Quintana
The Journal of Chemical Physics 146 (21), 214113, 2017
302017
The “| Δμ| big is good” rule, the maximum hardness, and minimum electrophilicity principles
RA Miranda-Quintana, PW Ayers
Theoretical Chemistry Accounts 138 (3), 1-6, 2019
292019
Communication: Reduced density matrices in molecular systems: Grand-canonical electron states
RC Bochicchio, RA Miranda-Quintana, D Rial
The Journal of Chemical Physics 139 (19), 191101, 2013
252013
The HSAB principle from a finite-temperature grand-canonical perspective
RA Miranda-Quintana, TD Kim, C Cárdenas, PW Ayers
Theoretical Chemistry Accounts 136 (12), 1-6, 2017
242017
Note: Maximum hardness and minimum electrophilicity principles
RA Miranda-Quintana, PW Ayers
The Journal of Chemical Physics 148 (19), 196101, 2018
232018
Systematic treatment of spin-reactivity indicators in conceptual density functional theory
RA Miranda-Quintana, PW Ayers
Theoretical Chemistry Accounts 135 (10), 1-18, 2016
232016
Dipolar cycloadditions and the “| Δμ| big is good” rule: a computational study
RA Miranda-Quintana, PW Ayers
Theoretical Chemistry Accounts 137 (12), 1-7, 2018
202018
Energy dependence with the number of particles: density and reduced density matrices functionals
RA Miranda-Quintana, RC Bochicchio
Chemical Physics Letters 593, 35-39, 2014
202014
Theoretical Insights into Specific Ion Effects and Strong‐Weak Acid‐Base Rules for Ions in Solution: Deriving the Law of Matching Solvent Affinities from First Principles
RA Miranda‐Quintana, J Smiatek
ChemPhysChem 21 (23), 2605-2617, 2020
182020
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), 031102, 2016
182016
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