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Results: 1412

Ramon Carbó-Dorca
About an incoherent precision behavior in LCAO MO theory when a simple diatomic molecule collapses into an atom
J. Math. Chem., 2016, 54, 845-848
DOI: 10.1007/s10910-016-0607-x

Mireia Rovira, Marta Soler, Imma Güell, Ming-Zheng Wang, Laura Gómez, Xavi Ribas
Orthogonal Discrimination among Functional Groups in Ullmann-Type C–O and C–N Couplings
J. Org. Chem., 2016, 81, 7315-7325
DOI: 10.1021/acs.joc.6b01035
Keywords: Catalysis, Cross-coupling reactions, Organometallics

Alexander A. Voityuk, Miquel Solà
Photoinduced Charge Separation in the Carbon Nano-Onion C60 @C240
J. Phys. Chem. A, 2016, 120, 5798-5804
DOI: 10.1021/acs.jpca.6b04127

Juan Pablo Martínez, Fernando Langa, F. Matthias Bickelhaupt, Sílvia Osuna, Miquel Solà
(4 + 2) and (2 + 2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature
J. Phys. Chem. C, 2016, 120, 1716-1726
DOI: 10.1021/acs.jpcc.5b11499

Lluís Blancafort, Virginia Ovejas, Raúl Montero, Marta Fernández-Fernández, Asier Longarte
Triplet Mediated C–N Dissociation versus Internal Conversion in Electronically ExcitedN -Methylpyrrole
J. Phys. Chem. Lett., 2016, 7, 1231-1237
DOI: 10.1021/acs.jpclett.6b00195

Ramon Carbó-Dorca, Silvia González
Notes on Quantitative Structure-Properties Relationships (QSPR) Part Four: Quantum Multimolecular Polyhedra, Collective Vectors, Quantum Similarity, and Quantum QSPR Fundamental Equation
Management Studies , 2016, 4, 33-47
DOI: 10.17265/2328-2185/2016.01.004

Jesús Vicente de Julián-Ortiz, Lionello Pogliani, Emili Besalú
Artificial Neural Networks and Multilinear Least Squares to Model Physicochemical Properties of Organic Solvents
MOL2NET-03, 2016, 2, 1-17
DOI: 10.3390/mol2net-02-03826

Ramon Carbó-Dorca
Quantum polyhedra in LCAO MO theory
Molecular Physics, 2016, 114, 1236-1249
DOI: 10.1080/00268976.2015.1093663

Mauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba, Pedro Salvador, Miquel Solà, Eduard Matito
Bonding description of the Harpoon mechanism
Molecular Physics, 2016, 114, 1345-1355
DOI: 10.1080/00268976.2015.1121297

Albert Poater
Moving from Classical Ru-NHC to Neutral or Charged Rh-NHC Based Catalysts in Olefin Metathesis
Molecules, 2016, 21, 177- 187
DOI: 10.3390/molecules21020177

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