Luis Lain (L Lain)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 11

Top Topics

Density Functional Theory

Molecularly Imprinted

Electron Transfer

Metal Organic Framework

Top Venues

The Journal of chemical physics

The journal of physical chemistry. A

Chemphyschem : a European journal of chemical physics and physical chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Diego R Alcoba, Luis Lain, Alicia Torre, Tomás R Ayala, Ofelia B Oña, Gustavo E Massaccesi, Juan E Peralta, Juan I Melo
Generalized Spin in the Variance-Based Wave Function Optimization Method within the Doubly Occupied Configuration Interaction Framework. The journal of physical chemistry. A 128 (34) (2024)
Diego R Alcoba, Luis Lain, Alicia Torre, Tomás R Ayala, Ofelia B Oña, Gustavo E Massaccesi, Juan E Peralta, Juan I Melo
Generalized Spin in the Variance-Based Wave Function Optimization Method within the Doubly Occupied Configuration Interaction Framework. The journal of physical chemistry. A 128 (34) (2024)
Diego R Alcoba, Luis Lain, Alicia Torre, Tomás R Ayala, Ofelia B Oña, Gustavo E Massaccesi, Juan E Peralta, Juan I Melo
Generalized Spin in the Variance-Based Wave Function Optimization Method within the Doubly Occupied Configuration Interaction Framework. The journal of physical chemistry. A (2024)
José F Marco, Juan Z Dávalos-Prado, Drahomír Hnyk, Josef Holub, Ofelia B Oña, Diego R Alcoba, Maxime Ferrer, Jose Elguero, Luis Lain, Alicia Torre, Josep M Oliva-Enrich
Two Shared Icosahedral Metallacarboranes through Iron: A Joint Experimental and Theoretical Refinement of Mössbauer Spectrum in [Fe(1,2-C 2 B 9 H 11 ) 2 ]Cs. ACS omega 8 (15) (2023)
José F Marco, Juan Z Dávalos-Prado, Drahomír Hnyk, Josef Holub, Ofelia B Oña, Diego R Alcoba, Maxime Ferrer, Jose Elguero, Luis Lain, Alicia Torre, Josep M Oliva-Enrich
Two Shared Icosahedral Metallacarboranes through Iron: A Joint Experimental and Theoretical Refinement of Mössbauer Spectrum in [Fe(1,2-C 2 B 9 H 11 ) 2 ]Cs. ACS omega 8 (15) (2023)
José F Marco, Juan Z Dávalos-Prado, Drahomír Hnyk, Josef Holub, Ofelia B Oña, Diego R Alcoba, Maxime Ferrer, Jose Elguero, Luis Lain, Alicia Torre, Josep M Oliva-Enrich
Two Shared Icosahedral Metallacarboranes through Iron: A Joint Experimental and Theoretical Refinement of Mössbauer Spectrum in [Fe(1,2-C 2 B 9 H 11 ) 2 ]Cs. ACS omega 8 (15) (2023)
José F Marco, Juan Z Dávalos-Prado, Drahomír Hnyk, Josef Holub, Ofelia B Oña, Diego R Alcoba, Maxime Ferrer, Jose Elguero, Luis Lain, Alicia Torre, Josep M Oliva-Enrich
Two Shared Icosahedral Metallacarboranes through Iron: A Joint Experimental and Theoretical Refinement of Mössbauer Spectrum in [Fe(1,2-C 2 B 9 H 11 ) 2 ]Cs. ACS omega 8 (15) (2023)
A Rubio-García, Jorge Dukelsky, Diego R Alcoba, P Capuzzi, Ofelia B Oña, E Ríos, Alicia Torre, Luis Lain
Variational reduced density matrix method in the doubly-occupied configuration interaction space using four-particle N-representability conditions: Application to the XXZ model of quantum magnetism. The Journal of chemical physics 151 (15) (2019)
Diego R Alcoba, Alicia Torre, Luis Lain, Gustavo E Massaccesi, Ofelia B Oña, Eduardo M Honoré, Ward Poelmans, Dimitri Van Neck, Patrick Bultinck, Stijn De Baerdemacker
Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions: The influence of three-index N-representability conditions. The Journal of chemical physics 148 (2) (2018)
Diego R Alcoba, Pablo Capuzzi, Alvaro Rubio-García, Jorge Dukelsky, Gustavo E Massaccesi, Ofelia B Oña, Alicia Torre, Luis Lain
Variational reduced density matrix method in the doubly occupied configuration interaction space using three-particle N-representability conditions. The Journal of chemical physics 149 (19) (2018)
Ofelia B Oña, Olivier De Clercq, Diego R Alcoba, Alicia Torre, Luis Lain, Dimitri Van Neck, Patrick Bultinck
Atom and Bond Fukui Functions and Matrices: A Hirshfeld-I Atoms-in-Molecule Approach. Chemphyschem : a European journal of chemical physics and physical chemistry 17 (18) (2016)