Publications

More filters

Results: 1856

Sergei F. Vyboishchikov
Modeling exact exchange potential in spherically confined atoms
J. Comput. Chem., 2015, 36, 2037-2043
DOI: 10.1002/jcc.24040

Marcel Swart, P. Th. van Duijnen
Rapid determination of polarizability exaltation in fullerene-based nanostructures
J. Mater. Chem. C, 2015, 3, 23-25
DOI: 10.1039/C4TC02060J

Ramon Carbó-Dorca
Least squares estimation of unknown molecular properties and quantum QSPR fundamental equation
J. Math. Chem., 2015, 53, 1651-1656
DOI: 10.1007/s10910-015-0521-7

Ramon Carbó-Dorca
An isometric representation problem in quantum multimolecular polyhedra and similarity
J. Math. Chem., 2015, 53, 1750-1758
DOI: 10.1007/s10910-015-0516-4

Ramon Carbó-Dorca
An isometric representation problem in quantum multimolecular polyhedra and similarity: (2) synisometry
J. Math. Chem., 2015, 53, 1876-1884
DOI: 10.1007/s10910-015-0525-3

Ramon Carbó-Dorca
Coulomb repulsion, point-like nuclear charges, Dirac paradox, soft nuclear charge density and hypermultiplet nuclear repulsion
J. Math. Chem., 2015, 53, 590-603
DOI: 10.1007/s10910-014-0436-8
OpenAccess: –
Keywords: Molecular similarity

ChristopherJ. Lech, AnhTuân Phan, Maria-Elisabeth Michel-Beyerle, Alexander A. Voityuk
Influence of Base Stacking Geometry on the Nature of Excited States in G-Quadruplexes: A Time-Dependent DFT Study
J. Phys. Chem. B, 2015, 119, 3697-3705
DOI: 10.1021/jp512767j

Alexander A. Voityuk
Interaction of Dark Excited States. Comparison of Computational Approaches
J. Phys. Chem. B, 2015, 119, 7417-7421
DOI: 10.1021/jp511035p

Marina Corbella, Alexander A. Voityuk, Carles Curutchet
Single Amino Acid Mutation Controls Hole Transfer Dynamics in DNA-MethyltransferaseHha I Complexes
J. Phys. Chem. Lett.
, 2015, 6
, 3749-3753
DOI: 10.1021/acs.jpclett.5b01683

Yuqi Zhang, Ryan M. Young, Arun K. Thazhathveetil, Arunoday P.N. Singh, Chaoren Liu, Yuri A. Berlin, Ferdinand C. Grozema, Frederick D. Lewis, Mark A. Ratner, Nicolas Renaud, Khatcharin Siriwong, Alexander A. Voityuk, Michael R. Wasielewski, David N. Beratan
Conformationally Gated Charge Transfer in DNA Three-Way Junctions
J. Phys. Chem. Lett., 2015, 6, 2434-2438
DOI: 10.1021/acs.jpclett.5b00863