Results: 81
Eloy Ramos-Cordoba, Verònica Postils, Pedro Salvador
Oxidation States from Wave Function Analysis
J. Chem. Theory Comput., 2015, 11, 1501-1508
DOI: 10.1021/ct501088v
Pedro Salvador
Chapter Five – Dependencies of J-Couplings upon Dihedral Angles on Proteins
Annual Reports on NMR Spectroscopy, 2014, 81, 185-227
DOI: 10.1016/B978-0-12-800185-1.00005-XKeywords: Spectroscopy
Eloy Ramos-Cordoba, Pedro Salvador, Mario Piris, Eduard Matito
Two new constraints for the cumulant matrix
J. Chem. Phys., 2014, 141, 234101
DOI: 10.1063/1.4903449
Eloy Ramos-Cordoba, Pedro Salvador
Characterization and Quantification of Polyradical Character
J. Chem. Theory Comput., 2014, 10, 634-641
DOI: 10.1021/ct401009p
Laia Guillaumes, Pedro Salvador, Sílvia Simon
A Fuzzy-Atom Analysis of Electron Delocalization on Hydrogen Bonds
J. Phys. Chem. A, 2014, 118, 1142-1149
DOI: 10.1021/jp4119869
Eloy Ramos-Cordoba, Pedro Salvador
Diradical character from the local spin analysis
Phys. Chem. Chem. Phys., 2014, 16, 9565-9571
DOI: 10.1039/C4CP00939H
Eloy Ramos-Cordoba, Pedro Salvador, Markus Reiher
Local Spin Analysis and Chemical Bonding
Chem-Eur J., 2013, 19, 15267-15275
DOI: 10.1002/chem.201300945
Eloy Ramos-Cordoba, Pedro Salvador, István Mayer
The atomic orbitals of the topological atom
J. Chem. Phys., 2013, 138, 214107
DOI: 10.1063/1.4807775
Robert Ponec, Eloy Ramos-Cordoba, Pedro Salvador
Bonding Quandary in the [Cu3S2]3+ Core: Insights from the Analysis of Domain Averaged Fermi Holes and the Local Spin
J. Phys. Chem. A, 2013, 117, 1975-1982
DOI: 10.1021/jp309295r
Majid El-Hamdi, Ouissam El Bakouri El Farri, Pedro Salvador, BenAli Abdelouahid, MohamedSoussi El Begrani, Jordi Poater, Miquel Solà
Analysis of the Relative Stabilities of Ortho, Meta, and Para MClY(XC4 H4 )(PH3 )2 Heterometallabenzenes (M = Rh, Ir; X = N, P; Y = Cl and M = Ru, Os; X = N, P; Y = CO)
Organometallics, 2013, 32, 4892-4903
DOI: 10.1021/om400629w