Marco Franco-Pérez: search on Z-Library

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1

UV–Visible properties of oxicams in solution: A TD-DFT and experimental study

Marco Franco-Pérez, Luis I. Reyes-García, Rosario Moya-Hernández, Rodolfo Gómez-Balderas

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 483 KB

english, 2012

2

First-Principles Prediction of the p K a s of Anti-inflammatory Oxicams

Ho, Junming, Coote, Michelle L., Franco-Pérez, Marco, Gómez-Balderas, Rodolfo

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 452 KB

english, 2010

3

New Fukui, dual and hyper-dual kernels as bond reactivity descriptors.

Franco-Perez, Marco, Polanco-Ramírez, Carlos A., Ayers, Paul, Gázquez, José L., Vela, Alberto

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 598 KB

english, 2017

4

Local electrophilicity

Robles, Andrés, Franco-Pérez, Marco, Gázquez, José L., Cárdenas, Carlos, Fuentealba, Patricio

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 1.73 MB

english, 2018

5

An explicit approach to conceptual density functional theory descriptors of arbitrary order

Heidar-Zadeh, Farnaz, Richer, Michael, Fias, Stijn, Miranda-Quintana, Ramón Alain, Chan, Matthew, Franco-Pérez, Marco, González-Espinoza, Cristina E., Kim, Taewon David, Lanssens, Caitlin, Patel, Anan

Journal:

Chemical Physics Letters

Year:

2016

Language:

english

File:

PDF, 477 KB

english, 2016

6

Tautomeric Ratio and Prototropic Equilibrium Constants of Tenoxicam, a 1 H and 13 C NMR Theoretical and Experimental Study

Franco-Pérez, Marco, Moya-Hernández, Rosario, Rojas-Hernández, Alberto, Gutiérrez, Atilano, Gómez-Balderas, Rodolfo

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 955 KB

english, 2011

7

Thermodynamic hardness and the maximum hardness principle

Franco-Pérez, Marco, Gázquez, José L., Ayers, Paul W., Vela, Alberto

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 3.67 MB

english, 2017

8

[Cu(H2O) n ]2+ (n = 1–6) complexes in solution phase: a DFT hierarchical study

Galván-García, Emir A., Agacino-Valdés, Esther, Franco-Pérez, Marco, Gómez-Balderas, Rodolfo

Journal:

Theoretica Chimica Acta

Year:

2017

Language:

english

File:

PDF, 1.68 MB

english, 2017

9

The Electronegativities of Pauling and Mulliken in Density Functional Theory

Franco-Pérez, Marco, Gázquez, José L.

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 261 KB

english, 2019

10

Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures

Franco-Pérez, Marco, Gázquez, José L., Ayers, Paul W., Vela, Alberto

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 4.18 MB

english, 2015

11

Local and linear chemical reactivity response functions at finite temperature in density functional theory

Franco-Pérez, Marco, Ayers, Paul W., Gázquez, José L., Vela, Alberto

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 426 KB

english, 2015

12

Local and nonlocal counterparts of global descriptors: the cases of chemical softness and hardness

Franco-Pérez, Marco, Polanco-Ramírez, Carlos A., Gázquez, José L., Ayers, Paul W.

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 1.09 MB

english, 2018

13

Multicomponent one-pot synthesis of (dihydro-1 H -benzo[ d ]imidazole) phosphonate

Castrejon-Flores, José Luis, Guevara-Moreno, Oscar Ernesto, Díaz-Contreras, Raúl Ricardo, Gutiérrez-Carrillo, Atilano, Franco-Pérez, Marco, Suárez-Moreno, Galdina Vanessa, Zamudio-Medina, Angel

Journal:

Phosphorus Sulfur and Silicon and the Related Elements

Year:

2019

Language:

english

File:

PDF, 830 KB

english, 2019

14

Average electronic energy is the central quantity in conceptual chemical reactivity theory

Franco-Pérez, Marco, Ayers, Paul W., Gázquez, José L.

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2016

Language:

english

File:

PDF, 748 KB

english, 2016

15

Chemical hardness: Temperature dependent definitions and reactivity principles

Miranda-Quintana, Ramón Alain, Franco-Pérez, Marco, Gázquez, José L., Ayers, Paul W., Vela, Alberto

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.87 MB

english, 2018

16

Going beyond the three-state ensemble model: the electronic chemical potential and Fukui function for the general case

Franco-Pérez, Marco, Heidar-Zadeh, Farnaz, Ayers, Paul W., Gázquez, José L., Vela, Alberto

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.28 MB

english, 2017

17

An electronic temperature definition for the reactive electronic species: Conciliating practical approaches in conceptual chemical reactivity theory with a rigorous ensemble formulation

Franco-Pérez, Marco

Journal:

The Journal of Chemical Physics

Year:

2019

File:

PDF, 1.79 MB

2019

18

Temperature-dependent approach to chemical reactivity concepts in density functional theory

Gázquez, José L., Franco-Pérez, Marco, Ayers, Paul W., Vela, Alberto

Journal:

International Journal of Quantum Chemistry

Year:

2018

Language:

english

File:

PDF, 3.78 MB

english, 2018

19

Revisiting the definition of local hardness and hardness kernel

Polanco-Ramírez, Carlos A., Franco-Pérez, Marco, Carmona-Espíndola, Javier, Gázquez, José L., Ayers, Paul W.

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 644 KB

english, 2017

20

Reply to the ‘Comment on “Revisiting the definition of local hardness and hardness kernel”’ by C. Morell, F. Guégan, W. Lamine, and H. Chermette, Phys. Chem. Chem. Phys. , 2018, 20 , DOI: 10.1039/C7CP04100D

Franco-Pérez, Marco, Polanco-Ramírez, Carlos A., Gázquez, José L., Ayers, Paul W.

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.34 MB

english, 2018

21

Electronic chemical response indexes at finite temperature in the canonical ensemble

Franco-Pérez, Marco, Gázquez, José L., Vela, Alberto

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 481 KB

english, 2015

22

Thermodynamic responses of electronic systems

Franco-Pérez, Marco, Ayers, Paul W., Gázquez, José L., Vela, Alberto

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 429 KB

english, 2017

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