Results: 1729
Olga A. Stasyuk, Antony J. Stasyuk, Miquel Solà, Alexander A. Voityuk
How Do Defects in Carbon Nanostructures Regulate the Photoinduced Electron Transfer Processes? The Case of Phenine Nanotubes
ChemPhysChem, 2021, 22, 1178-1186
DOI: 10.1002/cphc.202100285Keywords: Electron and energy transfer, Excited states, Fullerenes, Nanocages, Photovoltaic materials
Yuto Sakaguchi, Arnau Call, Kosei Yamauchi, Ken Sakai
Catalysis of CO2 reduction by diazapyridinophane complexes of Fe, Co, and Ni: CO2 binding triggered by combined frontier MO associations involving a SOMO
Dalton Trans., 2021, 50, 15983-15995
DOI: 10.1039/D1DT01877AKeywords: Catalysis, Density Functional Theory, Photocatalysis, Reaction mechanisms, Sustainable Catalysis
Anton J. Stasyuk, Olga A. Stasyuk, Miquel Solà, Alexander Voityuk
Photoinduced electron transfer in non-covalent complexes of C60 and phosphangulene oxide derivatives
Dalton Trans., 2021, 50, 16214-16222
DOI: 10.1039/D1DT02034JKeywords: Electron and energy transfer, Fullerenes, Photovoltaic materials, Photochemistry, Supramolecular chemistry
Pau Font, Xavi Ribas
Fundamental basis for implementing oxidant‐free Au(I)/Au(III) catalysis
Eur. J. Inorg. Chem., 2021, 26, 2556-2569
DOI: 10.1002/ejic.202100301Keywords: Catalysis, Cross-coupling reactions, High-valent metal complexes, Organometallics
Jordi Poater, Juliane Heitkämper, Albert Poater, Valérie Maraval, Remi Chauvin
Zwitterionic Aromaticity on Azulene Extrapolated tocarbo ‐Azulene
Eur. J. Org. Chem., 2021, 2021, 6450-6458
DOI: 10.1002/ejoc.202101228Keywords: Aromaticity, Chemical bonding, Computational chemistry, Density Functional Theory, Nonlinear optical properties
Julia Wessel, Giovanna Petrillo, Miquel Estevez-Gay, Sandra Bosch, Margarita Seeger, Willem P. Dijkman, Javier Iglesias-Fernández, Aurelio Hidalgo, Isabel Uson, Sílvia Osuna, Anett Schallmey
Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2
FEBS J, 2021, 288, 4683-4701
DOI: 10.1111/febs.15777Keywords: Molecular Dynamics, Biocatalysis, Non-covalent interactions
Jens Popp, Tobias Riggenmann, Daniel Schröder, Torsten Ampßler, Pedro Salvador, Peter Klüfers
Bent and Linear {CoNO}8 Entities: Structure and Bonding in a Prototypic Class of Nitrosyls
Inorg. Chem., 2021, 60, 15980-15996
DOI: 10.1021/acs.inorgchem.1c00998Keywords: Catalysis, Chemical bonding, Computational chemistry, Organometallics, Predictive Chemistry
Martí Gimferrer, Sergi Danés, Diego M. Andrada, Pedro Salvador
Unveiling the Electronic Structure of the Bi(+1)/Bi(+3) Redox Couple on NCN and NNN Pincer Complexes
Inorg. Chem., 2021, 60, 17657-17668
DOI: 10.1021/acs.inorgchem.1c02252Keywords: Chemical bonding, Electron delocalization, Predictive Chemistry, Real-space analysis
Ferran Comas, Jèssica Latorre, Francisco Ortega, María Arnoriaga Rodríguez, Aina Lluch, Mònica Sabater, Ferran Rius, Xavier Ribas, Miquel Costas, Wifredo Ricart, Albert Lecube, JoséManuel Fernández-Real, JoséMaría Moreno-Navarrete
Morbidly obese subjects show increased serum sulfide in proportion to fat mass
Int J Obes, 2021, 45, 415–426
DOI: 10.1038/s41366-020-00696-zKeywords: Method development
TusharKanti Das, Albert Poater
Review on the Use of Heavy Metal Deposits from Water Treatment Waste towards Catalytic Chemical Syntheses
Int. J. Mol., 2021, 22, 13383
DOI: 10.3390/ijms222413383Keywords: Catalysis, Sustainable Catalysis