Results: 846
Yago García-Rodeja, Miquel Solà, Israel Fernández
Predicting and Understanding the Reactivity of Aza[60]fullerenes
J. Org. Chem., 2017, 82, 754-758
DOI: 10.1021/acs.joc.6b02424
Alexander A. Voityuk
Electronic Couplings for Photoinduced Electron Transfer and Excitation Energy Transfer Computed Using Excited States of Noninteracting Molecules
J. Phys. Chem. A, 2017, 121, 5414-5419
DOI: 10.1021/acs.jpca.7b03924
Miquel Torrent-Sucarrat, Sara Navarro, Enrique Marcos, Josep M. Anglada, Josep M. Luis
Design of Hückel–Möbius Topological Switches with High Nonlinear Optical Properties
J. Phys. Chem. C, 2017, 121, 19348–19357
DOI: 10.1021/acs.jpcc.7b05900Keywords: Aromaticity, Computational chemistry, Density Functional Theory, Nonlinear optical properties
Hui-Min He, Ying Li, Hui Yang, Dan Yu, Si-Yi Li, Di Wu, Jian-Hua Hou, Rong-Lin Zhong, Zhong-Jun Zhou, Feng-Long Gu, Josep M. Luis, Zhi-Ru Li
Efficient External Electric Field Manipulated Nonlinear Optical Switches of All-Metal Electride Molecules with Infrared Transparency: Nonbonding Electron Transfer Forms an Excess Electron Lone Pair
J. Phys. Chem. C, 2017, 121, 958-968
DOI: 10.1021/acs.jpcc.6b11919
Albert Poater, Sai Vikrama Chaitanya Vummaleti, Alfonso Polo, Luigi Cavallo
Clean and selective catalytic C-H alkylation of alkenes with environmental friendly alcohols
Mol. Catal., 2017, 435, 69-75
DOI: 10.1016/j.molcata.2016.09.010
Lorenzo Piola, José A. Fernández-Salas, Fady Nahra, Albert Poater, Luigi Cavallo, Steven P. Nolan
Ruthenium-catalysed decomposition of formic acid: Fuel cell and catalytic applications
Molecular Catalysis, 2017, 440, 184-189
DOI: 10.1016/j.mcat.2017.06.021Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis
Sunatda Arayachukiat, Prapussorn Yingcharoen, Sai V. C. Vummaleti, Luigi Cavallo, Albert Poater, Valerio D’Elia
Cycloaddition of CO2 to challenging N-tosyl aziridines using a halogen-free niobium complex: Catalytic activity and mechanistic insights
Molecular Catalysis, 2017, 443, 280-285
DOI: 10.1016/j.mcat.2017.10.023Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis
Alejandro Vásquez-Espinal, Jordi Poater, Miquel Solà, William Tiznado, Rafael Islas
Testing the effectiveness of the isoelectronic substitution principle through the transformation of aromatic osmathiophene derivatives into their inorganic analogues
New J. Chem., 2017, 41, 1168-1178
DOI: 10.1039/C6NJ02972H
Alfonso Polo, J. Duran, R. Juanola, J. Real, J. Benet-Buchholz, Miquel Solà, Albert Poater
Tuning diastereoisomerism in platinum(II) phosphino- and aminothiolato hydrido complexes
New J. Chem., 2017, 41, 3015-3028
DOI: 10.1039/C6NJ04042J
Èric Casals-Cruañas, Oscar F. González-Belman, Pau Besalú-Sala, David J. Nelson, Albert Poater
The preference for dual-gold(I) catalysis in the hydro(alkoxylation vs. phenoxylation) of alkynes
Org. Biomol. Chem., 2017, 15, 6416-6425
DOI: 10.1039/C7OB01457K