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Results: 1331

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

Jamie Tay, Michael A. Parkes, Kiri Addison, Yohan Chan, Lijuan Zhang, Helen C. Hailes, Philip C. Bulman Page, Stephen R. Meech, Lluís Blancafort, Helen H. Fielding
The Effect of Conjugation on the Competition between Internal Conversion and Electron Detachment: A Comparison between Green Fluorescent and Red Kaede Protein Chromophores
J. Phys. Chem. Lett., 2017, 8, 765-771
DOI:10.1021/acs.jpclett.7b00174

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.2017.06.021
OpenAccess: –
Keywords: 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.2017.10.023
OpenAccess: –
Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis

Anna D. Cirac, Maria Torné, Esther Badosa, Emilio Montesinos, Pedro Salvador, Lidia Feliu, Marta Planas
Rational Design of Cyclic Antimicrobial Peptides Based on BPC194 and BPC198
Molecules, 2017, 22, 1054
DOI: 10.3390/molecules22071054

Cristina Camó, Maria Torné, Emili Besalú, Cristina Rosés, Anna D. Cirac, Gemma Moiset, Esther Badosa, Eduard Bardají, Emilio Montesinos, Marta Planas, Lidia Feliu
Tryptophan-Containing Cyclic Decapeptides with Activity against Plant Pathogenic Bacteria
Molecules, 2017, 22, 1817
DOI: 10.3390/molecules22111817
OpenAccess: –
Keywords: Predictive Chemistry

Javier Iglesias-Fernández, Susan M Hancock, Seung Seo Lee, Maola Khan, Jo Kirkpatrick, Neil J Oldham, Katherine McAuley, Anthony Fordham-Skelton, Carme Rovira, Benjamin G Davis
A front-face ‘SNi synthase’ engineered from a retaining ‘double-SN2’ hydrolase
Nat. Chem. Bio., 2017, 13, 874-881
DOI: 10.1038/nchembio.2394
OpenAccess: –
Keywords: Enzyme design

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

N. N. Adarsh, Amarnath Chakraborty, Màrius Tarrés, Surjendu Dey, Fernando Novio, Basab Chattopadhyay, Xavi Ribas, Daniel Ruiz-Molina
Ligand and solvent effects in the formation and self-assembly of a metallosupramolecular cage
New J. Chem., 2017, 41, 1179-1185
DOI: 10.1039/C6NJ03456J