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Results: 1431

Ramon Carbó-Dorca
Scaled Euclidian distances: a general dissimilarity index with a suitably defined geometrical foundation
J. Math. Chem., 2012, 50, 734-740
DOI: 10.1007/s10910-011-9920-6

Ramon Carbó-Dorca
Symmetrical overlap transformations of function basis sets: the LCAO MO and quantum similarity practical cases
J. Math. Chem., 2012, 50
, 741-751
DOI: 10.1007/s10910-011-9921-5

Jordi Poater, Marcel Swart and Miquel Solà
An Assessment of the Validity of the Maximum Hardness Principle in Chemical Reactions
J. Mex. Chem. Soc., 2012, 56, 311 – 315
DOI: ISSN 1870-249X

Lluís Blancafort, Ffrancon Williams
Role of Hyperconjugation in the 1,2-Shift Reactivity of Bicyclo[2.1.0]pentane and Cyclopropane Radical Cations: A Computational Study
J. Phys. Chem. A, 2012, 116, 10607-10614
DOI: 10.1021/jp307532b

Cristina Butchosa, Sílvia Simon, Lluís Blancafort, Alexander A. Voityuk
MS-CASPT2 Study of Hole Transfer in GuanineIndole Complexes Using the Generalized MullikenHush Method: Effective Two-State Treatment
J. Phys. Chem. B, 2012, 116, 7815-7820
DOI: 10.1021/jp303675h

Carles Curutchet, Alexander A. Voityuk
Distance Dependence of Triplet Energy Transfer in Water and Organic Solvents: A QM/MD Study
J. Phys. Chem. C, 2012, 116, 22179-22185
DOI: 10.1021/jp306280y

Quansong Li, Annapaola Migani, Lluís Blancafort
Wave Packet Dynamics at an Extended Seam of Conical Intersection: Mechanism of the Light-Induced Wolff Rearrangement
J. Phys. Chem. Lett., 2012, 3, 1056-1061
DOI: 10.1021/jz300235z

Mònica Alonso, Mar Castellanos, Emili Besalú, Juan M. Sanchez
A headspace needle-trap method for the analysis of volatile organic compounds in whole blood
Journal of Chromatography A, 2012, 1252, 23-30
DOI: 10.1016/j.chroma.2012.06.083

Miquel Costas, Jeremy N. Harvey
Spin states: Discussion of an open problem
Nature Chem, 2012, 5, 7-9
DOI: 10.1038/nchem.1533

Sandra Brun, Anna Pla-Quintana, Anna Roglans, Klaus-Richard Pörschke, Richard Goddard
Nickel(0) Complexes of Polyunsaturated Azamacrocyclic Ligands
Organometallics, 2012, 31, 1983-1990
DOI: 10.1021/om201271y

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