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J. Manuel Recio

University of Oviedo

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Publication

Featured researches published by J. Manuel Recio.

Journal of Physics: Condensed Matter | 1999

Density functional study of the structure, thermodynamics and electronic properties of CdGeAs2

Peter Zapol; Ravindra Pandey; M. Seel; J. Manuel Recio; Melvin C. Ohmer

Structural, thermodynamic and electronic properties of CdGeAs2 with chalcopyrite structure are investigated in the framework of density functional theory. We employ the linear combination of atomic orbitals method with the Gaussian basis sets and present the results for the equation of state, the Grconstant, the electronic band structure and the pressure coefficients of the valence and conduction levels in CdGeAs2.

International Journal of Quantum Chemistry | 1994

STRUCTURE AND STABILITY OF BN MICROCLUSTERS : AB INITIO CALCULATIONS FOR (BN)N (N=2-4)

Amin Sutjianto; Ravindra Pandey; J. Manuel Recio

Journal of Physics and Chemistry of Solids | 2008

Useful applications of the electron localization function in high-pressure crystal chemistry

J. Contreras-García; Ángel Martín Pendás; Bernard Silvi; J. Manuel Recio

Physical Review B | 2000

Transition path for the B3?B1 phase transformation in semiconductors

M. A. Blanco; J. Manuel Recio; Aurora Costales; Ravindra Pandey

Physical Chemistry Chemical Physics | 2015

The role of isomerization in the kinetics of self-assembly: p-terphenyl-m-dicarbonitrile on the Ag(111) surface

David Abbasi-Pérez; J. Manuel Recio; Lev Kantorovich

Theoretical Chemistry Accounts | 2017

Microscopic analysis of AgCl polymorphism

Julia Contreras-García; Miriam Marqués; J. Manuel Recio

Physical Chemistry Chemical Physics | 2015

The role of isomerization in the kinetics of self-assembly

David Abbasi-Pérez; J. Manuel Recio; Lev Kantorovich

Anales de Química | 2014

El enlace químico y su supervivencia en la Química Cuántica

Julia Contreras-García; Alberto Otero-de-la-Roza; J. Manuel Recio

Physical Review B | 2004

Pressure effects on the structure and vibrations of beta - and gamma- C3 N4

Miguel A. L. Marques; J. Osorio; Rajeev Ahuja; M. Florez; J. Manuel Recio

Physical Review B | 2004

Pressure effects on the structure and vibrations of - and ?-C3N4

Miguel A. L. Marques; J. Osorio; Rajeev Ahuja; M. Florez; J. Manuel Recio

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Ravindra Pandey

Michigan Technological University

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David Abbasi-Pérez

University of Oviedo

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Lev Kantorovich

King's College London

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Julia Contreras-García

University of Paris

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Rajeev Ahuja

Uppsala University

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Amin Sutjianto

Michigan Technological University

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M. Seel

Michigan Technological University

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Melvin C. Ohmer

Air Force Research Laboratory

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Peter Zapol

Argonne National Laboratory

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Aurora Costales

University of Oviedo

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