Works by Rovira, Carme

Results: 71

Structure, Protonation State and Dynamics of Catalase Compound II.

Published in:

ChemPhysChem, 2005, v. 6, n. 9, p. 1820, doi. 10.1002/cphc.200400633

By:

Carme Rovira

Publication type:

Article

Conformational and Electronic Variations in 1,2‐ and 1,5a‐Cyclophellitols and their Impact on Retaining α‐Glucosidase Inhibition.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 31, p. 1, doi. 10.1002/chem.202400723

By:

Ofman, Tim P.;
Heming, Jurriaan J. A.;
Nin‐Hill, Alba;
Küllmer, Florian;
Moran, Elisha;
Bennett, Megan;
Steneker, Roy;
Klein, Anne‐Mei;
Ruijgrok, Gijs;
Kok, Ken;
Armstrong, Zach W. B.;
Aerts, Johannes M. F. G.;
van der Marel, Gijsbert A.;
Rovira, Carme;
Davies, Gideon J.;
Artola, Marta;
Codée, Jeroen D. C.;
Overkleeft, Herman S.

Publication type:

Article

Control of Substrate Conformation by Hydrogen Bonding in a Retaining β‐Endoglycosidase.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 70, p. 1, doi. 10.1002/chem.202302555

By:

Nin‐Hill, Alba;
Ardevol, Albert;
Biarnés, Xevi;
Planas, Antoni;
Rovira, Carme

Publication type:

Article

Rational Tuning of the Reactivity of Three‐Membered Heterocycle Ring Openings via SN2 Reactions.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 60, p. 1, doi. 10.1002/chem.202201649

By:

Hansen, Thomas;
Nin‐Hill, Alba;
Codée, Jeroen D. C.;
Hamlin, Trevor A.;
Rovira, Carme

Publication type:

Article

Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.

Published in:

Angewandte Chemie, 2014, v. 126, n. 4, p. 1105, doi. 10.1002/ange.201308334

By:

Williams, Rohan J.;
Iglesias ‐ Fernández, Javier;
Stepper, Judith;
Jackson, Adam;
Thompson, Andrew J.;
Lowe, Elisabeth C.;
White, Jonathan M.;
Gilbert, Harry J.;
Rovira, Carme;
Davies, Gideon J.;
Williams, Spencer J.

Publication type:

Article

The Reaction Coordinate of a Bacterial GH47 α-Mannosidase: A Combined Quantum Mechanical and Structural Approach.

Published in:

Angewandte Chemie, 2012, v. 124, n. 44, p. 11159, doi. 10.1002/ange.201205338

By:

Thompson, Andrew J.;
Dabin, Jerome;
Iglesias-Fernández, Javier;
Ardèvol, Albert;
Dinev, Zoran;
Williams, Spencer J.;
Bande, Omprakash;
Siriwardena, Aloysius;
Moreland, Carl;
Hu, Ting-Chou;
Smith, David K.;
Gilbert, Harry J.;
Rovira, Carme;
Davies, Gideon J.

Publication type:

Article

Innenrücktitelbild: The Reaction Coordinate of a Bacterial GH47 α-Mannosidase: A Combined Quantum Mechanical and Structural Approach (Angew. Chem. 44/2012).

Published in:

Angewandte Chemie, 2012, v. 124, n. 44, p. 11333, doi. 10.1002/ange.201207917

By:

Thompson, Andrew J.;
Dabin, Jerome;
Iglesias-Fernández, Javier;
Ardèvol, Albert;
Dinev, Zoran;
Williams, Spencer J.;
Bande, Omprakash;
Siriwardena, Aloysius;
Moreland, Carl;
Hu, Ting-Chou;
Smith, David K.;
Gilbert, Harry J.;
Rovira, Carme;
Davies, Gideon J.

Publication type:

Article

The Molecular Mechanism of Enzymatic Glycosyl Transfer with Retention of Configuration: Evidence for a Short-Lived Oxocarbenium-Like Species.

Published in:

Angewandte Chemie, 2011, v. 123, n. 46, p. 11089, doi. 10.1002/ange.201104623

By:

Ardèvol, Albert;
Rovira, Carme

Publication type:

Article

Author Correction: Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase.

Published in:

2024

By:

Piniello, Beatriz;
Macías-León, Javier;
Miyazaki, Shun;
García-García, Ana;
Compañón, Ismael;
Ghirardello, Mattia;
Taleb, Víctor;
Veloz, Billy;
Corzana, Francisco;
Miyagawa, Atsushi;
Rovira, Carme;
Hurtado-Guerrero, Ramon

Publication type:

Correction Notice

Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-41238-1

By:

Piniello, Beatriz;
Macías-León, Javier;
Miyazaki, Shun;
García-García, Ana;
Compañón, Ismael;
Ghirardello, Mattia;
Taleb, Víctor;
Veloz, Billy;
Corzana, Francisco;
Miyagawa, Atsushi;
Rovira, Carme;
Hurtado-Guerrero, Ramon

Publication type:

Article

Constrained Catalytic Itinerary of a Retaining 3,6‐Anhydro‐D‐Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.

Published in:

Angewandte Chemie International Edition, 2024, v. 63, n. 43, p. 1, doi. 10.1002/anie.202411171

By:

Wallace, Michael D.;
Cuxart, Irene;
Roret, Thomas;
Guée, Laura;
Debowski, Aleksandra W.;
Czjzek, Mirjam;
Rovira, Carme;
Stubbs, Keith A.;
Ficko‐Blean, Elizabeth

Publication type:

Article

Enzymatic C4‐Epimerization of UDP‐Glucuronic Acid: Precisely Steered Rotation of a Transient 4‐Keto Intermediate for an Inverted Reaction without Decarboxylation.

Published in:

Angewandte Chemie International Edition, 2023, v. 62, n. 4, p. 1, doi. 10.1002/anie.202211937

By:

Borg, Annika J. E.;
Esquivias, Oriol;
Coines, Joan;
Rovira, Carme;
Nidetzky, Bernd

Publication type:

Article

Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent β‐l‐Arabinofuranosidase Inhibitor.

Published in:

Angewandte Chemie International Edition, 2021, v. 60, n. 11, p. 5754, doi. 10.1002/anie.202013920

By:

McGregor, Nicholas G. S.;
Coines, Joan;
Borlandelli, Valentina;
Amaki, Satoko;
Artola, Marta;
Nin‐Hill, Alba;
Linzel, Daniël;
Yamada, Chihaya;
Arakawa, Takatoshi;
Ishiwata, Akihiro;
Ito, Yukishige;
Marel, Gijsbert A.;
Codée, Jeroen D. C.;
Fushinobu, Shinya;
Overkleeft, Herman S.;
Rovira, Carme;
Davies, Gideon J.

Publication type:

Article

How Oxygen Binding Enhances Long‐Range Electron Transfer: Lessons From Reduction of Lytic Polysaccharide Monooxygenases by Cellobiose Dehydrogenase.

Published in:

Angewandte Chemie International Edition, 2021, v. 60, n. 5, p. 2385, doi. 10.1002/anie.202011408

By:

Wang, Zhanfeng;
Feng, Shishi;
Rovira, Carme;
Wang, Binju

Publication type:

Article

Electrochemically Gated Long‐Distance Charge Transport in Photosystem I.

Published in:

Angewandte Chemie International Edition, 2019, v. 58, n. 38, p. 13280, doi. 10.1002/anie.201904374

By:

López‐Martínez, Montse;
López‐Ortiz, Manuel;
Antinori, Maria Elena;
Wientjes, Emilie;
Nin‐Hill, Alba;
Rovira, Carme;
Croce, Roberta;
Díez‐Pérez, Ismael;
Gorostiza, Pau

Publication type:

Article

Privateer: software for the conformational validation of carbohydrate structures.

Published in:

Nature Structural & Molecular Biology, 2015, v. 22, n. 11, p. 833, doi. 10.1038/nsmb.3115

By:

Agirre, Jon;
Iglesias-Fernández, Javier;
Rovira, Carme;
Davies, Gideon J;
Wilson, Keith S;
Cowtan, Kevin D

Publication type:

Article

Modulation of AΒ42 fibrillogenesis by glycosaminoglycan structure.

Published in:

FASEB Journal, 2010, v. 24, n. 11, p. 4250, doi. 10.1096/fj.09-153551

By:

Valle-Delgado, Juan José;
Alfonso-Prieto, Mercedes;
de Groot, Natalia S.;
Ventura, Salvador;
Samitier, Josep;
Rovira, Carme;
Fernàndez-Busquets, Xavier

Publication type:

Article

Conformational Analysis of the Mannosidase Inhibitor Kifunensine: A Quantum Mechanical and Structural Approach.

Published in:

ChemBioChem, 2017, v. 18, n. 15, p. 1496, doi. 10.1002/cbic.201700166

By:

Males, Alexandra;
Raich, Lluís;
Williams, Spencer J.;
Rovira, Carme;
Davies, Gideon J.

Publication type:

Article

Bis(ethylenethio)tetrathiafulvalene (BET-TTF), an organic donor with high electrical conductivity.

Published in:

Advanced Materials, 1995, v. 7, n. 12, p. 1023, doi. 10.1002/adma.19950071212

By:

Rovira, Concepciö;
Tarrés, Judit;
Veciana, Jaume;
Rovira, M. Carme;
Novoa, Juan J.;
Yang, Syaulan;
Cowan, Dwain O.;
Canadell, Enric

Publication type:

Article

CH...S and S...S: Two major forces in organic conductors.

Published in:

Advanced Materials, 1995, v. 7, n. 2, p. 233, doi. 10.1002/adma.19950070230

By:

Novoa, Juan J.;
Rovira, M. Carme;
Rovira, Concepció;
Veciana, Jaume;
Tarrés, Judit

Publication type:

Article

Substrate conformational changes in glycoside hydrolase catalysis. A first-principles molecular dynamics study.

Published in:

Biocatalysis & Biotransformation, 2010, v. 28, n. 1, p. 33, doi. 10.3109/10242420903408252

By:

Biarnés, Xevi;
Ardèvol, Albert;
Planas, Antoni;
Rovira, Carme

Publication type:

Article

Enantioselective Preparation of δ-Valerolactones with Horse Liver Alcohol Dehydrogenase.

Published in:

ChemCatChem, 2014, v. 6, n. 4, p. 977, doi. 10.1002/cctc.201300640

By:

Díaz‐Rodríguez, Alba;
Iglesias‐Fernández, Javier;
Rovira, Carme;
Gotor‐Fernández, Vicente

Publication type:

Article

4‐O‐Substituted Glucuronic Cyclophellitols are Selective Mechanism‐Based Heparanase Inhibitors.

Published in:

ChemMedChem, 2023, v. 18, n. 4, p. 1, doi. 10.1002/cmdc.202200580

By:

Borlandelli, Valentina;
Armstrong, Zachary;
Nin‐Hill, Alba;
Codée, Jeroen D. C.;
Raich, Lluís;
Artola, Marta;
Rovira, Carme;
Davies, Gideon J.;
Overkleeft, Herman S.

Publication type:

Article

Corrigendum: Evidence for a Boat Conformation at the Transition State of GH76 α-1,6-Mannanases-Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism.

Published in:

Angewandte Chemie International Edition, 2016, v. 55, n. 6, p. 1949, doi. 10.1002/anie.201511540

By:

Thompson, Andrew J.;
Speciale, Gaetano;
Iglesias-Fernández, Javier;
Hakki, Zalihe;
Belz, Tyson;
Cartmell, Alan;
Spears, Richard J.;
Chandler, Emily;
Temple, Max J.;
Stepper, Judith;
Gilbert, Harry J.;
Rovira, Carme;
Williams, Spencer J.;
Davies, Gideon J.

Publication type:

Article

Evidence for a Boat Conformation at the Transition State of GH76 α-1,6-Mannanases-Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism.

Published in:

Angewandte Chemie International Edition, 2015, v. 54, n. 18, p. 5378, doi. 10.1002/anie.201410502

By:

Thompson, Andrew J.;
Spears, Richard J.;
Chandler, Emily;
Stepper, Judith;
Davies, Gideon J.;
Speciale, Gaetano;
Hakki, Zalihe;
Belz, Tyson;
Cartmell, Alan;
Williams, Spencer J.;
Iglesias-Fernández, Javier;
Rovira, Carme;
Temple, Max J.;
Gilbert, Harry J.

Publication type:

Article

Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N-Acetylgalactosaminyltransferase 2.

Published in:

Angewandte Chemie International Edition, 2014, v. 53, n. 31, p. 8206, doi. 10.1002/anie.201402781

By:

Lira‐Navarrete, Erandi;
Iglesias‐Fernández, Javier;
Zandberg, Wesley F.;
Compañón, Ismael;
Kong, Yun;
Corzana, Francisco;
Pinto, B. Mario;
Clausen, Henrik;
Peregrina, Jesús M.;
Vocadlo, David J.;
Rovira, Carme;
Hurtado‐Guerrero, Ramon

Publication type:

Article

Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.

Published in:

Angewandte Chemie International Edition, 2014, v. 53, n. 4, p. 1087, doi. 10.1002/anie.201308334

By:

Williams, Rohan J.;
Iglesias‐Fernández, Javier;
Stepper, Judith;
Jackson, Adam;
Thompson, Andrew J.;
Lowe, Elisabeth C.;
White, Jonathan M.;
Gilbert, Harry J.;
Rovira, Carme;
Davies, Gideon J.;
Williams, Spencer J.

Publication type:

Article

Sequential Uncaging with Green Light can be Achieved by Fine-Tuning the Structure of a Dicyanocoumarin Chromophore.

Published in:

ChemistryOpen, 2017, v. 6, n. 3, p. 375, doi. 10.1002/open.201700067

By:

Gandioso, Albert;
Palau, Marta;
Nin ‐ Hill, Alba;
Melnyk, Ivanna;
Rovira, Carme;
Nonell, Santi;
Velasco, Dolores;
García ‐ Amorós, Jaume;
Marchán, VicENte

Publication type:

Article

Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.

Published in:

Nature Communications, 2019, v. 10, n. 1, p. 1, doi. 10.1038/s41467-019-09691-z

By:

Streltsov, Victor A.;
Luang, Sukanya;
Peisley, Alys;
Varghese, Joseph N.;
Cairns, James R. Ketudat;
Fort, Sebastien;
Hijnen, Marcel;
Tvaroška, Igor;
Ardá, Ana;
Jiménez-Barbero, Jesús;
Alfonso-Prieto, Mercedes;
Rovira, Carme;
Mendoza, Fernanda;
Tiessler-Sala, Laura;
Sánchez-Aparicio, José-Emilio;
Rodríguez-Guerra, Jaime;
Lluch, José M.;
Maréchal, Jean-Didier;
Masgrau, Laura;
Hrmova, Maria

Publication type:

Article

Long distance electron transfer through the aqueous solution between redox partner proteins.

Published in:

Nature Communications, 2018, v. 9, n. 1, p. 1, doi. 10.1038/s41467-018-07499-x

By:

Lagunas, Anna;
Guerra-Castellano, Alejandra;
Nin-Hill, Alba;
Díaz-Moreno, Irene;
De la Rosa, Miguel A.;
Samitier, Josep;
Rovira, Carme;
Gorostiza, Pau

Publication type:

Article

The description of electronic processes inside proteins from Car-Parrinello molecular dynamics: chemical transformations.

Published in:

WIREs: Computational Molecular Science, 2013, v. 3, n. 4, p. 393, doi. 10.1002/wcms.1153

By:

Rovira, Carme

Publication type:

Article

MOOC attack: closing the gap between pre-university and university mathematics.

Published in:

Open Learning, 2013, v. 28, n. 3, p. 227, doi. 10.1080/02680513.2013.872558

By:

Daza, Vanesa;
Makriyannis, Nikolaos;
Rovira Riera, Carme

Publication type:

Article

Effectiveness of Rational Emotive Behaviour Therapy in Clinical Social Work: Impact on Frequency of Visits and Use of Psychopharmacological Treatment.

Published in:

International Journal of Integrated Care (IJIC), 2016, v. 16, n. 6, p. 1, doi. 10.5334/ijic.2949

By:

Aler, Carme Rovira;
Leiva, Maria Isabel Fuentes;
Bonet, Xavier Fernández;
Ortega, Jesús Almeda;
Puertolas, Oriol Cunillera;
Izquierdo, Silvia Edo

Publication type:

Article

The reaction mechanism of retaining glycosyltransferases.

Published in:

Biochemical Society Transactions, 2016, v. 44, n. 1, p. 51, doi. 10.1042/BST20150177

By:

Ardèvol, Albert;
Iglesias-Fernández, Javier;
Rojas-Cervellera, Víctor;
Rovira, Carme

Publication type:

Article

Interanionic (−)O−H⋅⋅⋅O(−) Interactions: A Solid-State and Computational Study of the Ring and Chain Motifs.

Published in:

Chemistry - A European Journal, 2000, v. 6, n. 24, p. 4536, doi. 10.1002/1521-3765(20001215)6:24<4536::AID-CHEM4536>3.0.CO;2-M

By:

Braga, Dario;
Maini, Lucia;
Grepioni, Fabrizia;
Mota, Fernando;
Rovira, Carme;
Novoa, Juan J.

Publication type:

Article

Strength and Directionality of the S⋅⋅⋅S Intermolecular Interactions Present in TTF-Based Molecular Crystals. A Combined Statistical and Ab Initio Study.

Published in:

Chemistry - A European Journal, 1999, v. 5, n. 12, p. 3689, doi. 10.1002/(SICI)1521-3765(19991203)5:12<3689::AID-CHEM3689>3.0.CO;2-H

By:

Rovira, Carme;
Novoa, Juan J.

Publication type:

Article

Factors Influencing Ligand-Binding Properties of Heme Models: A First Principles Study of Picket-Fence and Protoheme Complexes.

Published in:

Chemistry - A European Journal, 1999, v. 5, n. 1, p. 250, doi. 10.1002/(SICI)1521-3765(19990104)5:1<250::AID-CHEM250>3.0.CO;2-C

By:

Rovira, Carme;
Parrinello, Michele

Publication type:

Article

Electrochemically Gated Long‐Distance Charge Transport in Photosystem I.

Published in:

Angewandte Chemie, 2019, v. 131, n. 38, p. 13414, doi. 10.1002/ange.201904374

By:

López‐Martínez, Montse;
López‐Ortiz, Manuel;
Antinori, Maria Elena;
Wientjes, Emilie;
Nin‐Hill, Alba;
Rovira, Carme;
Croce, Roberta;
Díez‐Pérez, Ismael;
Gorostiza, Pau

Publication type:

Article

Berichtigung: Evidence for a Boat Conformation at the Transition State of GH76 α-1,6-Mannanases-Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism.

Published in:

Angewandte Chemie, 2016, v. 128, n. 6, p. 1985, doi. 10.1002/ange.201511540

By:

Thompson, Andrew J.;
Speciale, Gaetano;
Iglesias‐Fernández, Javier;
Hakki, Zalihe;
Belz, Tyson;
Cartmell, Alan;
Spears, Richard J.;
Chandler, Emily;
Temple, Max J.;
Stepper, Judith;
Gilbert, Harry J.;
Rovira, Carme;
Williams, Spencer J.;
Davies, Gideon J.

Publication type:

Article

Evidence for a Boat Conformation at the Transition State of GH76 α-1,6-Mannanases-Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism.

Published in:

Angewandte Chemie, 2015, v. 127, n. 18, p. 5468, doi. 10.1002/ange.201410502

By:

Thompson, Andrew J.;
Speciale, Gaetano;
Iglesias-Fernández, Javier;
Hakki, Zalihe;
Belz, Tyson;
Cartmell, Alan;
Spears, Richard J.;
Chandler, Emily;
Temple, Max J.;
Stepper, Judith;
Gilbert, Harry J.;
Rovira, Carme;
Williams, Spencer J.;
Davies, Gideon J.

Publication type:

Article

Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N-Acetylgalactosaminyltransferase 2.

Published in:

Angewandte Chemie, 2014, v. 126, n. 31, p. 8345, doi. 10.1002/ange.201402781

By:

Lira ‐ Navarrete, Erandi;
Iglesias ‐ Fernández, Javier;
Zandberg, Wesley F.;
Compañón, Ismael;
Kong, Yun;
Corzana, Francisco;
Pinto, B. Mario;
Clausen, Henrik;
Peregrina, Jesús M.;
Vocadlo, David J.;
Rovira, Carme;
Hurtado ‐ Guerrero, Ramon

Publication type:

Article

Inside Back Cover: The Reaction Coordinate of a Bacterial GH47 α-Mannosidase: A Combined Quantum Mechanical and Structural Approach (Angew. Chem. Int. Ed. 44/2012).

Published in:

Angewandte Chemie International Edition, 2012, v. 51, n. 44, p. 11171, doi. 10.1002/anie.201207917

By:

Thompson, Andrew J.;
Dabin, Jerome;
Iglesias-Fernández, Javier;
Ardèvol, Albert;
Dinev, Zoran;
Williams, Spencer J.;
Bande, Omprakash;
Siriwardena, Aloysius;
Moreland, Carl;
Hu, Ting-Chou;
Smith, David K.;
Gilbert, Harry J.;
Rovira, Carme;
Davies, Gideon J.

Publication type:

Article

The Reaction Coordinate of a Bacterial GH47 α-Mannosidase: A Combined Quantum Mechanical and Structural Approach.

Published in:

Angewandte Chemie International Edition, 2012, v. 51, n. 44, p. 10997, doi. 10.1002/anie.201205338

By:

Thompson, Andrew J.;
Dabin, Jerome;
Iglesias-Fernández, Javier;
Ardèvol, Albert;
Dinev, Zoran;
Williams, Spencer J.;
Bande, Omprakash;
Siriwardena, Aloysius;
Moreland, Carl;
Hu, Ting-Chou;
Smith, David K.;
Gilbert, Harry J.;
Rovira, Carme;
Davies, Gideon J.

Publication type:

Article

The Molecular Mechanism of Enzymatic Glycosyl Transfer with Retention of Configuration: Evidence for a Short-Lived Oxocarbenium-Like Species.

Published in:

Angewandte Chemie International Edition, 2011, v. 50, n. 46, p. 10897, doi. 10.1002/anie.201104623

By:

Ardèvol, Albert;
Rovira, Carme

Publication type:

Article

First-principles molecular dynamics simulations of models for the myoglobin active center.

Published in:

International Journal of Quantum Chemistry, 2000, v. 80, n. 6, p. 1172, doi. 10.1002/1097-461X(2000)80:6<1172::AID-QUA4>3.0.CO;2-E

By:

Rovira, Carme;
Parrinello, Michele

Publication type:

Article

Oxygen binding to iron-porphyrin: A density functional study using both LSD and LSD+GC schemes.

Published in:

International Journal of Quantum Chemistry, 1998, v. 70, n. 2, p. 387, doi. 10.1002/(SICI)1097-461X(1998)70:2<387::AID-QUA16>3.0.CO;2-9

By:

Rovira, Carme;
Parrinello, Michele

Publication type:

Article

A comparative study of O2, CO, and NO binding to iron-porphyrin.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 1, p. 31, doi. 10.1002/(SICI)1097-461X(1998)69:1<31::AID-QUA5>3.0.CO;2-Y

By:

Rovira, Carme;
Kunc, Karel;
Hutter, Jürg;
Ballone, Pietro;
Parrinello, Michele

Publication type:

Article

Theoretical study of the structure and vibrational spectra of the (H2O)2...HF and H2O...(HF)2 molecular complexes.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 1, p. 177, doi. 10.1002/qua.560520118

By:

Rovira, Carme;
Constans, Pere;
Whangbo, M.-H.;
Novoa, Juan J.

Publication type:

Article

Photopharmacology of Ion Channels through the Light of the Computational Microscope.

Published in:

International Journal of Molecular Sciences, 2021, v. 22, n. 21, p. 12072, doi. 10.3390/ijms222112072

By:

Nin-Hill, Alba;
Mueller, Nicolas Pierre Friedrich;
Molteni, Carla;
Rovira, Carme;
Alfonso-Prieto, Mercedes

Publication type:

Article

A Neutral Zwitterionic Molecular Solid.

Published in:

Chemistry - A European Journal, 2010, v. 16, n. 47, p. 14051, doi. 10.1002/chem.201001875

By:

El-Ghayoury, Abdelkrim;
Mézière, Cécile;
Simonov, Sergey;
Zorina, Leokadiya;
Cobián, Manuel;
Canadell, Enric;
Rovira, Carme;
Náfrádi, Bálint;
Sipos, Balázs;
Forró, László;
Batail, Patrick

Publication type:

Article