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A theoretical assessment of antioxidant capacity of flavonoids by means of local hyper–softness

Sandoval-Yañez C.; Mascayano C.; Martínez-Araya J.I. (Elsevier B.V., 2018)

The substituent effect from the perspective of local hyper-softness. An example applied on normeloxicam, meloxicam and 4-meloxicam: Non-steroidal anti-inflammatory drugs

Martínez-Araya J.I.; Glossman-Mitnik D. (Elsevier, 2015)

Explaining some anomalies in catalytic activity values in some zirconocene methyl cations: Local hyper-softness

Martínez-Araya J.I. (2013)

Explaining Some Anomalies in Catalytic Activity Values in Some Zirconocene Methyl Cations: Local Hyper-Softness

Autor desconocido (AMER CHEMICAL SOC, 2013)

Towards the rationalization of catalytic activity values by means of local hyper-softness on the catalytic site: A criticism about the use of net electric charges

Martínez-Araya J.I.; Grand A.; Glossman-Mitnik D. (Royal Society of Chemistry, 2015)

Erratum: Towards the rationalization of catalytic activity values by means of local hyper-softness on the catalytic site: A criticism about the use of net electric charges (Phys. Chem. Chem. Phys (2015) DOI: 10.1039/c5cp03822g)

Martínez-Araya J.I.; Grand A.; Glossman-Mitnik D. (Royal Society of Chemistry, 2016)

Explaining Some Anomalies in Catalytic Activity Values in Some Zirconocene Methyl Cations: Local Hyper-SoftnessJOURNAL OF PHYSICAL CHEMISTRY CJ PHYS CHEM C

Martinez-Araya, Jorge Ignacio (AMER CHEMICAL SOC, 2013)

Chemical reactivity descriptors for ambiphilic reagents: Dual descriptor, local hypersoftness, and electrostatic potential

Cárdenas, Carlos; Rabi, Nataly; Ayers, Paul W.; Morell, Christophe; Jaramillo, Paula; Fuentealba Rosas, Patricio (2009)

The second-order response of the electron density with respect to changes in electron number, known as the dual descriptor, has been established as a key reactivity indicator for reactions like pericyclic reactions, where ...

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

Heidar Zadeh, Farnaz; Richer, Michael; Fias, Stijn; Miranda Quintana, Ramón; Chan, Matthew; Franco Pérez, Marco; González Espinoza, Cristina; Kim, Taewon; Lanssens, Caitlin; Patel, Anand; Yang, Xiaotian; Vöhringer Martinez, Esteban; Cárdenas Valencia, Carlos; Verstraelen, Toon; Ayers, Paul W. (Elsevier, 2016)

We present explicit formulas for arbitrary-order derivatives of the energy, grand potential, electron density, and higher-order response functions with respect to the number of electrons, and the chemical potential for any ...