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Results: 1422

Ramon Carbó-Dorca, Emili Besalú
A Gaussian holographic theorem and the projection of electronic density functions into the surface of a sphere
J. Math. Chem., 2010, 48, 914-924
DOI: 10.1007/s10910-010-9717-z

Diego M. Andrada, J. Oscar C. Jiménez-Halla, Miquel Solà
Mechanism of the Aminolysis of Fischer Alkoxy and Thiocarbene Complexes: A DFT Study
J. Org. Chem., 2010, 75, 5821-5836
DOI: 10.1021/jo100738x

Jordi Poater, Jordi Casanovas, Miquel Solà, Carlos Alemán
Examining the Planarity of Poly(3,4-ethylenedioxythiophene): Consideration of Self-Rigidification, Electronic, and Geometric Effects
J. Phys. Chem. A, 2010, 114, 1023-1028
DOI: 10.1021/jp908764s

Miroslaw Jablonński, Miquel Solà
Influence of Confinement on Hydrogen Bond Energy. The Case of the FHNCH Dimer
J. Phys. Chem. A, 2010, 114, 10253-10260
DOI: 10.1021/jp104968x

Marcel Swart, Mireia Güell, Josep M. Luis, Miquel Solà
Spin-State-Corrected Gaussian-Type Orbital Basis Sets
J. Phys. Chem. A, 2010, 114, 7191-7197
DOI: 10.1021/jp102712z

Alexander A. Voityuk
Triplet Excitation Energy Transfer through Fluorene π Stack
J. Phys. Chem. C, 2010, 114, 20236-20239
DOI: 10.1021/jp108407s

Khatcharin Siriwong, Alexander A. Voityuk, Yuri A. Berlin
Can Charge Recombination in DNA Hairpins Be Controlled by Counterions?
J. Phys. Chem. C, 2010, 114, 20503-20509
DOI: 10.1021/jp104935h

Piet Th. van Duijnen, Marcel Swart
On the Atomic Polarizabilities in Small Si
J. Phys. Chem. C, 2010, 114, 20547-20555
DOI: 10.1021/jp1049765

Sílvia Osuna, Miquel Torrent-Sucarrat, Miquel Solà, Paul Geerlings, Christopher P. Ewels, Gregory Van Lier
Reaction Mechanisms for Graphene and Carbon Nanotube Fluorination
J. Phys. Chem. C, 2010, 114, 3340-3345
DOI: 10.1021/jp908887n

Ramon Carbó-Dorca
LCAO MO first order density functions: Partition in monocentric and bicentric terms, reciprocal MO spaces, invariant transformations and Euclidian atomic populations
Journal of Molecular Structure: THEOCHEM, 2010, 943, 32-41
DOI: 10.1016/j.theochem.2009.09.025
Keywords: Molecular similarity

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