Zobrazeno 1 - 10
of 2 337
pro vyhledávání: '"MUJICA, V."'
Autor:
Georgiou, T., Palma, J. L., Mujica, V., Varela, S., Galante, M., Garcıa, V. Santamarıa, Mboning, L., Schwartz, R. N., Cuniberti, G., Bouchard, L. -S.
Spin polarization in chiral molecules is a magnetic molecular response associated with electron transport and enantioselective bond polarization that occurs even in the absence of an external magnetic field. An unexpected finding by Santos and co-wor
Externí odkaz:
http://arxiv.org/abs/2407.00861
Basic questions on the nature of spin polarization in two terminal systems and the way in which decoherence breaks Time-Reversal Symmetry (TRS) are analyzed. We exactly solve several one-dimensional models of tunneling electrons and show the interpla
Externí odkaz:
http://arxiv.org/abs/2301.02156
Dispersion interactions are one of the components of van der Waals (vdW) forces, which play a key role in the understanding of intermolecular interactions in many physical, chemical and biological processes. The theory of dispersion forces was develo
Externí odkaz:
http://arxiv.org/abs/2106.06350
Publikováno v:
J. Chem. Phys. 151, 125102 (2019)
We present an analytical model for the role of hydrogen bonding on the spin-orbit coupling of model DNA molecule. Here we analyze in detail the electric fields due to the polarization of the Hydrogen bond on the DNA base pairs and derive, within tigh
Externí odkaz:
http://arxiv.org/abs/1910.05985
Autor:
Pérez-Tovar CA; Escuela de Química, Facultad de Ciencias, Universidad Central de Venezuela, Caracas, 1041, Venezuela., Hernández-Bravo R; CONAHCyT-Centro de Ingeniería y Desarrollo Industrial (CIDESI), Av. Pie de La Cuesta No.702. Desarrollo San Pablo, 76125, Santiago de Querétaro, Qro, México. raiza.hernandez@cidesi.edu.mx., Parra JG; Universidad de Carabobo, Facultad Experimental de Ciencias y Tecnología, Dpto. de Química, Lab. de Simulación Molecular para la Química Experimental (SIMOlQUIMEX), Avenida Salvador Allende, Bárbula, Venezuela., Camacho N; Escuela de Química, Facultad de Ciencias, Universidad Central de Venezuela, Caracas, 1041, Venezuela., Castillo J; Escuela de Química, Facultad de Ciencias, Universidad Central de Venezuela, Caracas, 1041, Venezuela., Mujica V; School of Molecular Sciences, Arizona State University, 551 E University Dr, Tempe, AZ, 85281, USA. vmujica@asu.edu.
Publikováno v:
Journal of molecular modeling [J Mol Model] 2024 Nov 14; Vol. 30 (12), pp. 400. Date of Electronic Publication: 2024 Nov 14.
Autor:
Zambrano, D.F., Hernández-Bravo, R., Ruden, A., Espinosa-Arbelaez, D.G., González-Carmona, J.M., Mujica, V.
Publikováno v:
In Ceramics International 15 January 2023 49(2):2102-2114
Autor:
Georgiou T; Molecular Biology Interdepartmental Program (MBIDP), The Molecular Biology Institute, University of California Los Angeles, 611 Charles E. Young Drive East, Los Angeles, CA, 90095-1570, USA., Palma JL; Department of Chemistry, Penn State University, 2201 University Drive, Lemont Furnace, PA, 15456, USA., Mujica V; School of Molecular Sciences, Arizona State University, 551 E University Dr, Tempe, AZ, 85281, USA., Varela S; Institute for Materials Science and Max Bergmann Center of Biomaterials, TU Dresden, 01062, Dresden, Germany., Galante M; School of Molecular Sciences, Arizona State University, 551 E University Dr, Tempe, AZ, 85281, USA., Santamaría-García VJ; Department of Mechanical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts, 02139, US.; Tecnologico de Monterrey, Escuela de Ingeniería y Ciencias, Ave. Eugenio Garza Sada 2501, Monterrey, 64849, Mexico., Mboning L; Department of Chemistry and Biochemistry, University of California Los Angeles, 607 Charles E. Young Dr. East, Los Angeles, CA, 90095-1569, USA., Schwartz RN; Department of Electrical and Computer Engineering, University of California Los Angeles, 420 Westwood Plaza, Los Angeles, CA, 90095-1594, USA., Cuniberti G; Institute for Materials Science and Max Bergmann Center of Biomaterials, TU Dresden, 01062, Dresden, Germany. gianaurelio.cuniberti@tu-dresden.de.; Dresden Center for Computational Materials Science (DCMS), TU Dresden, 01062, Dresden, Germany. gianaurelio.cuniberti@tu-dresden.de., Bouchard LS; Molecular Biology Interdepartmental Program (MBIDP), The Molecular Biology Institute, University of California Los Angeles, 611 Charles E. Young Drive East, Los Angeles, CA, 90095-1570, USA. bouchard@chem.ucla.edu.; Department of Chemistry and Biochemistry, University of California Los Angeles, 607 Charles E. Young Dr. East, Los Angeles, CA, 90095-1569, USA. bouchard@chem.ucla.edu.; California NanoSystems Institute, University of California Los Angeles, 607 Charles E. Young Dr. East, Los Angeles, CA, 90095-1569, USA. bouchard@chem.ucla.edu.; Department of Bioengineering, University of California Los Angeles, 607 Charles E. Young Dr. East, Los Angeles, CA, 90095-1569, USA. bouchard@chem.ucla.edu.
Publikováno v:
Nature communications [Nat Commun] 2024 Aug 27; Vol. 15 (1), pp. 7367. Date of Electronic Publication: 2024 Aug 27.
Autor:
Varela S; Institute for Materials Science and Max Bergmann Center of Biomaterials, TU Dresden, 01062 Dresden, Germany., Gutierrez R; Institute for Materials Science and Max Bergmann Center of Biomaterials, TU Dresden, 01062 Dresden, Germany., Cuniberti G; Institute for Materials Science and Max Bergmann Center of Biomaterials, TU Dresden, 01062 Dresden, Germany.; Dresden Center for Computational Materials Science (DCMS), TU Dresden, 01062 Dresden, Germany., Medina E; Departamento de Física, Colegio de Ciencias e Ingeniería, Universidad San Francisco de Quito, 170901 Quito, Ecuador., Mujica V; School of Molecular Sciences, Arizona State University, Tempe, Arizona 85287, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2024 Sep 21; Vol. 161 (11).
We present a Tight-Binding Molecular Dynamics investigation of the stability, the geometrical and the electronic structure of suspended monatomic transition metal chains. We show that linear and stable monatomic chains are formed at temperature equal
Externí odkaz:
http://arxiv.org/abs/0708.1349
Magnetism in bare uncapped gold nano-clusters is explored from a density functional theory perspective with scalar relativistic effects included via the pseudo-potential. The computed electronic structures of various nano-clusters reveal that permane
Externí odkaz:
http://arxiv.org/abs/cond-mat/0610267