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Results: 1331

JuanPablo Martínez, Sílvia Osuna, Miquel Solà, Alexander A. Voityuk
Extent of charge separation and exciton delocalization for electronically excited states in a triphenylamine-C60 donor–acceptor conjugate: a combined molecular dynamics and TD-DFT study
Theor Chem Acc, 2015, 134, 12
DOI: 10.1007/s00214-015-1614-x

Sai Vikrama Chaitanya Vummaleti, Luigi Cavallo, Albert Poater
The driving force role of ruthenacyclobutanes
Theor Chem Acc, 2015, 134, 22
DOI: 10.1007/s00214-015-1622-x

Halina Szatyłowicz, Tadeusz M. Krygowski, Miquel Solà, Marcin Palusiak, Justyna Dominikowska, Olga A. Stasyuk, Jordi Poater
Why 1,2-quinone derivatives are more stable than their 2,3-analogues?
Theor Chem Acc, 2015, 134, 35
DOI: 10.1007/s00214-015-1635-5

Ramon Carbó-Dorca, Diego Barragán
Communications on quantum similarity (4): collective distances computed by means of similarity matrices, as generators of intrinsic ordering among quantum multimolecular polyhedra
WIREs. Comput. Mol. Sci., 2015, 5, 380-404
DOI: 10.1002/wcms.1223

Sai Vikrama Chaitanya Vummaleti, Laura Falivene, Albert Poater, Luigi Cavallo
Deconstructing Selectivity in the Gold-Promoted Cyclization of Alkynyl Benzothioamides to Six-Membered Mesoionic Carbene or Acyclic Carbene Complexes
ACS Catal., 2014, 4, 1287-1291
DOI: 10.1021/cs5001575

Adrián Gómez-Suárez, Danila Gasperini, Sai V. C. Vummaleti, Albert Poater, Luigi Cavallo, Steven P. Nolan
Highly Efficient and Eco-Friendly Gold-Catalyzed Synthesis of Homoallylic Ketones
ACS Catal., 2014, 4, 2701-2705
DOI: 10.1021/cs500806m

Mercè Canta, David Font, Laura Gómez, Xavi Ribas, Miquel Costas
The Iron(II) Complex [Fe(CF_3SO3)₂(mcp)] as a Convenient, Readily Available Catalyst for the Selective Oxidation of Methylenic Sites in Alkanes
Adv. Synth. Catal., 2014, 356, 818-830
DOI: 10.1002/adsc.201300923

Jordi Poater, Miquel Solà, Clara Viñas, Francesc Teixidor
π Aromaticity and Three-Dimensional Aromaticity: Two sides of the Same Coin?
Angew. Chem. Int. Ed., 2014, 53, 12191-12195
DOI: 10.1002/anie.201407359

Simone Manzini, Albert Poater, David J. Nelson, Luigi Cavallo, Alexandra M. Z. Slawin, Steven P. Nolan
Insights into the Decomposition of Olefin Metathesis Precatalysts
Angew. Chem. Int. Ed., 2014, 53, 8995-8999
DOI: 10.1002/anie.201403770

Joan Serrano-Plana, Isaac Garcia-Bosch, Ryosuke Miyake, Miquel Costas, Anna Company
Selective Ortho-Hydroxylation–Defluorination of 2-Fluorophenolates with a Bis(μ-oxo)dicopper(III) Species
Angew. Chem. Int. Edit., 2014, 53, 9608-9612
DOI: 10.1002/anie.201405060