Book chapters
Authors: Miquel Solà
Book title: Comprehensive Computational Chemistry
Chapter number: 2 Chapter Title: Aromaticity: Types, Rules, and Quantification
Editors: Manuel Yáñez, Russell J. Boyd Editorial: Elseiver
Location: Year: 2024 Page: 189-209
ISBN/ISSN: 978-0-128-23256-9
Authors: Yago García-Rodeja, Miquel Solà
Book title: Exploring Chemical Concepts Through Theory and Computation, First
Chapter number: 9 Chapter Title: Aromaticity and Antiaromaticity
Editors: Shubin Liu Editorial: Wiley
Location: Year: 2024 Page: 223-250
ISBN/ISSN: 9783527843435 (online), 9783527352487 (print)
Authors: Laia Vicens, Miquel Costas
Book title: Advances in Inorganic Chemistry – Inorganic Chemistry in Spain
Chapter number: 1 Chapter Title: Chapter One – Activation of hydrogen peroxide with biologically inspired non-heme iron and manganese catalysts: From simple molecular complexes to modification of the second coordination sphere
Editors: Manuel Martínez, Montserrat Ferrer Editorial: ScienceDirect
Location: Year: 2024 Page: 1-19
ISBN/ISSN: 9780443313097 (online), 9780443313080 (hardback)
Authors: Albert Artigas, Cristina Castanyer, Anna Roglans, Anna Pla-Quintana
Book title: Advances in Organometallic Chemistry
Chapter number: 3 Chapter Title: Chapter Three – Functionalization of fullerenes by transition metal catalyzed cyclization reactions: Insights into the mechanisms
Editors: Pedro J. Pérez Editorial: Elsevier
Location: Year: 2024 Page: 135-189
ISBN/ISSN: 9780443294228 (online)
Authors: R. Carbó-Dorca, T. Chakraborty
Book title: Chemical Reactivity
Chapter number: 18 Chapter Title: Quantum similarity description of a unique classical and quantum QSPR algorithm in molecular spaces: the connection with Boolean hypercubes, algorithmic intelligence, and Gödel’s incompleteness theorems
Editors: Savaş Kaya, László von Szentpály, Goncagül Serdaroğlu, Lei Guo Editorial: Elsevier
Location: Year: 2023 Page: 505-572
ISBN/ISSN: 978-0-323-90257-1
Authors: S. F. Vyboishchikov, A. A. Voityuk
Book title: Chemical Reactivity
Chapter number: 15 Chapter Title: Noniterative solvation energy method based on atomic charges
Editors: Savaş Kaya, László von Szentpály, Goncagül Serdaroğlu, Lei Guo Editorial: Elsevier
Location: Year: 2023 Page: 399-430
ISBN/ISSN: 978-0-323-90257-1
Authors: Sílvia Osuna
Book title: Computational design of industrially relevant enzymes,
Chapter number: 72 Chapter Title: Chapter Five – New Horizons in Modern Catalysis: Five Different Perspectives
Editors: Eva Hevia, Mónica H. Pérez-Temprano, Montserrat Diéguez, Editorial: Elseiver
Location: Year: 2023 Page: 159-181
ISBN/ISSN: 978-0-443-18671-4
Authors: L. Vicens, A. Palone, M. Costas
Book title: Base-Metal Catalysis 2
Chapter number: 12 Chapter Title: Asymmetric C—H Oxidation with Biologically Inspired Manganese and Iron Catalysts
Editors: Yoshikai, N. Editorial: Thieme
Location: Year: 2023 Page: 465
ISBN/ISSN: 9783132455054 (online), 9783132455054 (print)
Authors: Lorena Capdevila, Xavi Ribas
Book title: PATAI’S Chemistry of Functional Groups
Chapter number: Chapter Title: Cobalt-catalyzed cross-coupling reactions
Editors: Zvi Rappoport, Joel F. Liebman, Ilan Marek Editorial: Wiley
Location: Year: 2022 Page:
ISBN/ISSN: 9780470682531
Authors: Rachel Crespo-Otero, Lluís Blancafort
Book title: Handbook of Aggregation-Induced Emission
Chapter number: 14 Chapter Title: A Global Potential Energy Surface Approach to the Photophysics of AIEgens
Editors: Youhong Tang,Ben Zhong Tang Editorial: Wiley
Location: Year: 2022 Page:
ISBN/ISSN: 9781119643098 (online), 9781119643050 (print)
Authors: H. Valdés, X. Ribas
Book title: Comprehensive Organometallic Chemistry IV
Chapter number: 9 Chapter Title: Organometallic Complexes of Copper
Editors: Gerard Parkin, Karsten Meyer, Dermot O’hare Editorial: Elsevier
Location: Year: 2022 Page: 1-31
ISBN/ISSN: 978-0-323-91350-8
Authors: Abril C. Castro and Marcel Swart
Book title: Computational Techniques for Analytical Chemistry and Bioanalysis
Chapter number: 2 Chapter Title: Recent Advances in Computational NMR Spectrum Prediction
Editors: Philippe B Wilson, Martin Grootveld Editorial: The Royal Society of Chemistry
Location: Year: 2021 Page: 41-68
ISBN/ISSN: 978-1-78801-588-2 (online), 978-1-78801-461-8 (print)
Authors: Miquel Solà
Book title: Computational Modeling: From Chemistry to Materials to Biology
Chapter number: 2 Chapter Title: Excited-State aromaticity for the design of new functional materials
Editors: Kurt Wüthrich, Bert Weckhuysen, Laurence Rongy, Anne De Wit Editorial: World Scientific
Location: Year: 2021 Page: 81-86
ISBN/ISSN: 978-981-122-822-3 (online), 978-981-123-369-2 (print)
Authors: Xavi Ribas, Lorena Capdevila, Pau Font
Book title: Comprehensive Coordination Chemistry III
Chapter number: 6.13 Chapter Title: High-Valent Cu, Ag, and Au Coordination Compounds
Editors: Edwin C. Constable, Gerard Parkin, Lawrence Que Jr Editorial: Elsevier
Location: Year: 2021 Page: 474-516
ISBN/ISSN: 9780081026892
Authors: Marcel Swart
Book title: Dealing with spin states in computational organometallic catalysis
Chapter number: Chapter Title: In New Directions in the Modeling of Organometallic Reactions
Editors: A. LLedos, G. Ujaque Editorial: Springer
Location: Year: 2020 Page:
ISBN/ISSN:
Authors: E. Besalú; L. Pogliani; J.V. de Julián-Ortiz
Book title: Theoretical and Quantum Chemistry at the Dawn of the 21st Century
Chapter number: 6 Chapter Title: Some useful procedures and concepts in QSAR/QSPR
Editors: R. Carbó-Dorca and T. Chakraborty Editorial: Apple Academic Press
Location: Year: 2019 Page: 137-151
ISBN/ISSN: 9781771886826
Authors: Maja Gruden, Wesley R. Browne, Marcel Swart and Carole Duboc
Book title: Transition Metals in Coordination Environments
Chapter number: Chapter Title: Computational Versus Experimental Spectroscopy for Transition Metals
Editors: Broclawik E., Borowski T., Radoń M. Editorial: Springer, Cham
Location: Year: 2019 Page: 161-183
ISBN/ISSN: 978-3-030-11713-9 (Print), 978-3-030-11714-6 (Online)
Authors: Julio Lloret-Fillol, Miquel Costas
Book title: Advances in Organometallic Chemistry
Chapter number: 1 Chapter Title: Chapter One – Water oxidation at base metal molecular catalysts
Editors: Pedro Perez Editorial: Elsevier
Location: Year: 2019 Page: 1-52
ISBN/ISSN: 9780128171158 (Print), 9780128171165 (Online)
Authors: Miquel Costas
Book title: Alkane Functionalization
Chapter number: 13 Chapter Title: Alkane Oxidation with Biologically Inspired Nonheme Iron Catalysts Based in the Triazacyclononane Ligand Scaffold
Editors: Armando J. L. Pombeiro and M. Fátima C. Guedes da Silva Editorial: Wiley
Location: Year: 2019 Page:
ISBN/ISSN: 9781119378808 (Print), 9781119379256 (Online)
Authors: Carla Casadevall, Alberto Bucci, Miquel Costas, and Julio Lloret-Fillol
Book title: Advances in Organometallic Chemistry
Chapter number: 4 Chapter Title: Water oxidation catalysis with well-defined molecular iron complexes
Editors: Rudi van Eldik, Colin D. Hubbard Editorial: Elsevier
Location: Year: 2019 Page: 151-196
ISBN/ISSN: 978-0-12-816082-4
Authors: Laia Vicens, Miquel Costas
Book title: Frontiers of Green Catalytic Selective Oxidations. Green Chemistry and Sustainable Technology.
Chapter number: Chapter Title: Asymmetric Epoxidation Catalyzed by Biologically Inspired Non-heme Iron Catalysts and Hydrogen Peroxide
Editors: Bryliakov, Konstantin P. Editorial: Springer Singapore
Location: Singapore Year: 2019 Page: 161-197
ISBN/ISSN: 978-981-32-9751-7 (Online), 978-981-32-9750-0 (Print)
Authors: E. Besalú, L. Pogliani, and J.V. de Julián-Ortiz
Book title: Physical Chemistry for Chemists and Chemical Engineers: Multidisciplinary Research Perspectives
Chapter number: 10 Chapter Title: Fast Qualitative Inspection of Designed Experiments by means of the Superposing Significant Interaction Rules (SSIR) method
Editors: Alexander V. Vakhrushev, Reza Haghi, J.V. de Julián-Ortiz Editorial: Apple Academic Press
Location: Year: 2019 Page:
ISBN/ISSN: 9781771886550
Authors: David Lozano, Agustí Lledó
Book title: Targets in Heterocyclic Systems: volume 23
Chapter number: 8 Chapter Title: Heteroaromatic motifs in resorcinarene-derived cavitand receptors: Structural and functional elements
Editors: Orazio A. Attanasi, Pedro Merino and Domenico Spinelli Editorial: Società Chimica Italiana
Location: Year: 2019 Page: 155-177
ISBN/ISSN:
Authors: M. Costas
Book title: Green Oxidation in Organich Synthesis
Chapter number: 4 Chapter Title: Green oxidative synthesis of epoxide
Editors: Ning Jiao, Shannon S. Stahl Editorial: Wiley
Location: Year: 2019 Page: 123-157
ISBN/ISSN: 9781119304197 (online), 9781119304166 (print)
Authors: A. J. Stasyuk and M. Solà.
Book title: Theoretical and Quantum Chemistry at the Dawn of the 21st Century, first volume of book series ‘Innovations in Computational Chemistry’
Chapter number: Chapter Title: Excited State Intramolecular Proton Transfer (ESIPT) Process. A Brief Overview of Computational Aspects, Conformational Changes, Polymorphism, and Solvent Effects.
Editors: Ramon Carbó-Dorca and Tanmoy Chakraborty Editorial: Apple Academic Press
Location: Waretown Year: 2018 Page: 633-660
ISBN/ISSN: 978-1-77188-682-6
Authors: Oriol Planas, Paula G. Chirila, Christopher J. Whiteoak, Xavi Ribas
Book title: Advances in Organometallic Chemistry
Chapter number: 4 Chapter Title: Current Mechanistic Understanding of Cobalt-Catalyzed C-H Functionalization
Editors: Pedro J. Pérez Editorial: Elsevier
Location: Year: 2018 Page: 209-282
ISBN/ISSN: 978-0-12-815083-2
Authors: Laia Vicens, Margarida Borrell, Miquel Costas
Book title: Science of Synthesis: Catalytic Oxidation in Organic Synthesis
Chapter number: 5 Chapter Title: Biomimetic Oxidation in Organic Synthesis
Editors: Kilian Muñiz Editorial: Thieme
Location: Year: 2018 Page: 113-153
ISBN/ISSN: 978-3-13-201231-8
Authors: Zoel Codolá, Julio Lloret-Fillol and Miquel Costas
Book title: Non‐Noble Metal Catalysis: Molecular Approaches and Reactions
Chapter number: 16 Chapter Title: Catalytic Water Oxidation: Water Oxidation to O2 Mediated by 3d Transition Metal Complexes
Editors: Robertus J. M. Klein Gebbink and Marc-Etienne Moret Editorial: Wiley
Location: Year: 2018 Page:
ISBN/ISSN: 9783527340613 (Print), 9783527699087 (Online)
Authors: Oriol Planas, Christopher J. Whiteoak and Xavi Ribas
Book title: Non‐Noble Metal Catalysis: Molecular Approaches and Reactions
Chapter number: 12 Chapter Title: Recent Advances in Cobalt‐Catalyzed Cross‐coupling Reactions
Editors: Robertus J. M. Klein Gebbink and Marc-Etienne Moret Editorial: Wiley
Location: Year: 2018 Page:
ISBN/ISSN: 9783527340613 (Print), 9783527699087 (Online)
Authors: Heribert Reis, David Lauvergnat, Josep M. Luis, Robert Zaleśny
Book title: Frontiers of Quantum Chemistry
Chapter number: 17 Chapter Title: Vibrational Linear and Nonlinear Optical Properties: Theory, Methods, and Application
Editors: Marek J. Wójcik, Hiroshi Nakatsuji, Bernard Kirtman, Yukihiro Ozaki Editorial: Springer Singapore
Location: Singapore Year: 2018 Page: 401-429
ISBN/ISSN: 978-981-10-5651-2 (online), 978-981-13-5453-3 (print)
Authors: Emili Besalú, Lionello Pogliani and J. Vicente de Julian-Ortiz
Book title: Applied Chemistry and Chemical Engineering (vol. 4)
Chapter number: Chapter Title: The Superposing Significant Interaction Rules (SSIR) method
Editors: A. K. Haghi, L. Pogliani, E. A. Castro, D. Balköse, O. V. Mukbaniani, C. H. Chia Editorial: Apple Academic Press
Location: Waretown (NJ) Year: 2017 Page:
ISBN/ISSN: 9781771885874 (Print), 9781315207636 (Online)
Authors: J. V. de Julián-Ortiz, L. Pogliani, E. Besalú, B. Verdejo, E. García-España
Book title: Applied Chemistry and Chemical Engineering (vol. 5)
Chapter number: Chapter Title: Theoretical Calculations on Aza-Scorpiand Systems
Editors: A. K. Haghi, A. C. Faria Ribeiro, L. Pogliani, D. Balköse, F. Torrens, O. V. Mukbaniani Editorial: Apple Academic Press
Location: Waretown (NJ) Year: 2017 Page:
ISBN/ISSN: 9781771885935
Authors: Miquel Solà
Book title: Encyclopedia of Physical Organic Chemistry
Chapter number: Chapter Title:
Editors: Z. Wang Editorial: John Wiley & Sons
Location: Weinheim Year: 2017 Page: 511-542
ISBN/ISSN: 978-1-118-47045-9
Authors: Joan Serrano-Plana, Anna Company and Miquel Costas
Book title: Advances in Inorganic Chemistry
Chapter number: 2 Chapter Title: O–O Bond Activation in Cu- and Fe-Based Coordination Complexes: Breaking It Makes the Difference
Editors: Rudivan Eldik and Colin D.Hubbard Editorial: Elsevier
Location: Year: 2017 Page: 63-105
ISBN/ISSN: 978-0-12-812834-3
Authors: Anna Company; Miquel Costas
Book title: Applied Homogeneous Catalysis with Organometallic Compounds. A Comprehensive Handbook in Four Volumes (3rd Edition)
Chapter number: 31 Chapter Title: Selective alkane oxidation
Editors: Boy Cornils, Wolfgang A Herrmann, Matthias Beller, Rocco Paciello Editorial: Wiley
Location: Year: 2017 Page:
ISBN/ISSN: 9783527651733 (Online), 9783527328970 (Print)
Authors: Reis, Heribert; Lauvergnat, David; Luis, Josep M.; Zaleśny, Robert
Book title: Frontiers of Quantum Chemistry
Chapter number: Chapter Title: Vibrational Linear and Nonlinear Optical Properties: Theory, Methods, and Application
Editors: Wójcik M., Nakatsuji H., Kirtman B., Ozaki Y. Editorial: Springer
Location: Year: 2017 Page: 401-429
ISBN/ISSN: 978-981-10-5651-2 (online), 978-981-10-5650-5 (print)
Authors: Emili Besalú, Lionello Pogliani and J. Vicente de Julian-Ortiz
Book title: Applied Chemistry and Chemical Engineering (vol. 1)
Chapter number: Chapter Title: Usefulness and Limits of Predictive Relationships.
Editors: A. K. Haghi, D. Balköse, O. V. Mukbaniani, A. G. Mercader Editorial: Apple Academic Press
Location: Waretown (NJ) Year: 2016 Page:
ISBN/ISSN: 9781771885157 (Print), 9781771885164 (Online)
Authors: Miquel Duran, Sílvia Simon, Fernando Blasco, Josep Duran, Laia Guillaumes, Pep Anton Vieta
Book title: La cultura de los MOOCs
Chapter number: Chapter Title: De la universidad a la pantalla. Los MOOC, ¿una revolución en la educación superior?
Editors: Patricia Gómez, Alba García, Carlos Monge Editorial: Editorial Síntesis
Location: Madrid Year: 2016 Page: 89-98
ISBN/ISSN: 9788490772379
Authors: F. Feixas, E. Matito, J. Poater and M. Solà
Book title: Applications of Topological Methods in Molecular Chemistry. Challenges and Advances in Computational Chemistry and Physics
Chapter number: Chapter Title: Rules of Aromaticity
Editors: Editorial: Spriger
Location: Year: 2016 Page: 321-335
ISBN/ISSN: 978-3-319-29022-5 (Online), 978-3-319-29020-1 (Print)
Authors: Mercè Canta, Mònica Rodríguez, Miquel Costas
Book title: Site-Selective Catalysis
Chapter number: 2 Chapter Title: Recent Advances in the Selective Oxidation of Alkyl C–H Bonds Catalyzed by Iron Coordination Complexes
Editors: Takeo Kawabata Editorial: Springer International Publishing
Location: Cham Year: 2016 Page: 27-54
ISBN/ISSN: 978-3-319-26333-5 (online), 978-3-319-79933-9 (print)
Authors: J. Miró
Book title: Revista de Girona
Chapter number: 288 Chapter Title: L’aigua
Editors: Editorial: Diputació de Girona
Location: Girona Year: 2015 Page: 45
ISBN/ISSN: 0211-2663
Authors: J. Miró
Book title: Revista de Girona
Chapter number: 290 Chapter Title: Orígens de la població europea
Editors: Editorial: Diputació de Girona
Location: Girona Year: 2015 Page: 21
ISBN/ISSN: 0211-2663
Authors: J. Miró
Book title: Revista de Girona
Chapter number: 292 Chapter Title: La divulgació científica
Editors: Editorial: Diputació de Girona
Location: Girona Year: 2015 Page: 67
ISBN/ISSN: 0211-2663
Authors: M. Moreno, J. Miró
Book title: Verne en el cinema dels orígens
Chapter number: Chapter Title:
Editors: Editorial: Eds. Paganel, Marratxí
Location: Balears Year: 2015 Page: 135-143
ISBN/ISSN: 978-84-606-5890-0
Authors: M. Garcia-Borràs, S. Osuna, J.M. Luis, M. Swart and M. Solà
Book title: Exotic Properties of Carbon Nanomatter
Chapter number: 4 Chapter Title: Understanding the Exohedral Functionalization of Endohedral Metallofullerenes
Editors: M.V. Putz, O. Ori Editorial: Springer
Location: Berlin-London-New York Year: 2015 Page: 67-99
ISBN/ISSN: ISBN: 978-94-017-9566-1 (Print) 978-94-017-9567-8 (Online)
Authors: M. Swart and M. Costas
Book title: Spin states in biochemistry and inorganic chemistry: Influence on Structure and Reactivity
Chapter number: 1 Chapter Title: General Introduction to Spin States
Editors: M. Swart, M. Costas Editorial: Wiley
Location: Chicester, UK Year: 2015 Page: 1-5
ISBN/ISSN: 978-1-118-89831-4 (Print),978-1-118-89828-4 (E-book)
Authors: M. Costas and M. Swart
Book title: Spin states in biochemistry and inorganic chemistry: Influence on Structure and Reactivity
Chapter number: 1 Chapter Title: Summary and Outlook
Editors: M. Swart, M. Costas Editorial: Wiley
Location: Chicester, UK Year: 2015 Page: 435-437
ISBN/ISSN: 978-1-118-89831-4 (Print),978-1-118-89828-4 (E-book)
Authors: M. Swart and M. Costas
Book title: Spin states in biochemistry and inorganic chemistry: Influence on Structure and Reactivity
Chapter number: Chapter Title:
Editors: M. Swart, M. Costas Editorial: Wiley
Location: Chicester, UK Year: 2015 Page:
ISBN/ISSN: 978-1-118-89831-4 (Print),978-1-118-89828-4 (E-book)
Authors: Font M. and Ribas X.
Book title: The Privileged Pincer-Metal Platform: Coordination Chemistry & Applications
Chapter number: Chapter Title: Pincerlike Cyclic Systems for Unraveling Fundamental Coinage Metal Redox Processes
Editors: van Koten, Gerard, Gossage, Robert A Editorial: Springer
Location: Year: 2015 Page: 269-306
ISBN/ISSN: 978-3-319-22927-0
Authors: M. Canta, M. Rodríguez and M. Costas
Book title: Site-Selective Catalysis. Topics in Current Chemistry
Chapter number: Chapter Title: Recent Advances in the Selective Oxidation of Alkyl C–H Bonds Catalyzed by Iron Coordination Complexes
Editors: Editorial: Springer
Location: Year: 2015 Page: 27-54
ISBN/ISSN: 978-3-319-26333-5 (Online), 978-3-319-26331-1 (Print)
Authors: F. L. Pogliani, J. V. de Julian-Ortiz and E. Besalú
Book title: Advances in Chemical Modeling
Chapter number: Chapter Title: How useful is a relationship?
Editors: Editorial: Nova Science Publishers
Location: Year: 2015 Page: 365-372
ISBN/ISSN: 978-163482311-1, 978-163482310-4
Authors: Falivene, L., Poater, A., Cavallo, L.
Book title: N-Heterocyclic Carbenes: Effective Tools for Organometallic Synthesis
Chapter number: 2 Chapter Title: Tuning and Quantifying Steric and Electronic Effects of N-Heterocyclic Carbenes ( Book Chapter)
Editors: Nolan, S. P. Editorial: Wiley
Location: Year: 2014 Page: 25-38
ISBN/ISSN: 978-352767122-9 , 978-352733490-2
Authors: Poater, A., Falivene, L., Cavallo, L.
Book title: Olefin Metathesis: Theory and Practice
Chapter number: 19 Chapter Title: Theoretical Attempts: “In Silico Olefin Metathesis”-How Can Computers Help in the Understanding of Metathesis Mechanisms and in Catalysts Development? ( Book Chapter)
Editors: Grela, K. G. Editorial: Wiley
Location: Year: 2014 Page: 483-494
ISBN/ISSN: 978-111871161-3 , 978-111820794-9
Authors: J. Miró
Book title: Revista de Girona
Chapter number: 282 Chapter Title: De gens, mares i embrions
Editors: Editorial: Diputació de Girona
Location: Girona Year: 2014 Page: 27
ISBN/ISSN: 0211-2663
Authors: J. Miró
Book title: Revista de Girona
Chapter number: 284 Chapter Title: Infantesa i tècnica
Editors: Editorial: Diputació de Girona
Location: Girona Year: 2014 Page: 43
ISBN/ISSN: 0211-2663
Authors: J. Miró
Book title: Revista de Girona
Chapter number: 286 Chapter Title: La Lluna és nostra
Editors: Editorial: Diputació de Girona
Location: Girona Year: 2014 Page: 41
ISBN/ISSN: 0211-2663
Authors: P. Salvador
Book title: Annual Reports on NMR Spectroscopy, vol 81
Chapter number: Chapter Title: Dependencies of J-Couplings upon Dihedral Angles on Proteins
Editors: Graham A. Webb Editorial: Academic Press
Location: Year: 2014 Page: 185-227
ISBN/ISSN: 9780128003299
Authors: Alicia Casitas, Xavi Ribas
Book title: Copper-Mediated Cross-Coupling Reactions
Chapter number: Chapter Title: Aromatic/vinylic Finkelstein reaction
Editors: Gwilherm Evano, Nicholas Blanchard Editorial: Wiley
Location: Hoboken Year: 2014 Page: 239-252
ISBN/ISSN: 978-1-118-06045-2
Authors: Alicia Casitas, Xavi Ribas
Book title: Copper-Mediated Cross-Coupling Reactions
Chapter number: Chapter Title: Insights into the Mechanism of Modern Ullamnn-Goldberg Coupling Reactions
Editors: Gwilherm Evano, Nicholas Blanchard Editorial: Wiley
Location: Hoboken Year: 2014 Page: 253-280
ISBN/ISSN: 978-1-118-06045-2
Authors: Ferran Feixas, Jordi Poater, Eduard Matito and Miquel Solà
Book title: Structure, Bonding and Reactivity of Heterocyclic Compounds
Chapter number: Chapter Title: Aromaticity of Organic and Inorganic Heterocycles
Editors: De Proft F., Geerlings P. Editorial: Springer
Location: Berlin Year: 2014 Page: 129-160
ISBN/ISSN: 978-3-642-45148-5 (Print), 978-3-642-45149-2 (Online)
Authors: Zoel Codolà, Julio Lloret-Fillol, Miquel Costas
Book title: Progress in Inorganic Chemistry
Chapter number: 7 Chapter Title: Aminopyridine Iron and Manganese Complexes as Molecular Catalysts for Challenging Oxidative Transformations
Editors: Kenneth D. Karlin Editorial: John Wiley & Sons, Inc.
Location: Year: 2014 Page: 447-532
ISBN/ISSN: 978-1-11-887016-7
Authors: Pedro Salvador
Book title: Annual Reports on NMR Spectroscopy
Chapter number: 5 Chapter Title: Dependencies of J-Couplings upon Dihedral Angles on Proteins
Editors: Editorial: Graham A. Webb
Location: Year: 2014 Page: 185-227
ISBN/ISSN: 978-0-12-800185-1
Authors: Pedro Salvador
Book title: Annual Report on NMR Spectroscopy
Chapter number: 5 Chapter Title: Dependencies of J-Couplings upon Dihedral Angles on Proteins
Editors: Graham A. Webb Editorial: Elsevier
Location: Year: 2014 Page: 185-227
ISBN/ISSN: 978-0-12-800185-1
Authors: Anna Company, Julio Lloret-Fillol, Miquel Costas
Book title: Comprehensive Inorganic Chemistry II, Vol. 3
Chapter number: Chapter Title: Small Molecule Models for Nonporphyrinic Iron and Manganese Oxygenases
Editors: Jan Reedijk, Kenneth Poeppelmeier Editorial: Elsevier
Location: Oxford Year: 2013 Page: 487-564
ISBN/ISSN: 978-0-08-096529-1
Authors: Agustí Lledó, Xavier Verdaguer and Antoni Riera
Book title: The Pauson-Khand Reaction: Scope, Variations and Applications
Chapter number: 6 Chapter Title: The Enantioselective Pauson-Khand Reaction
Editors: Ramon Rios Torres Editorial: Wiley
Location: Chichester, West Sussex, UK Year: 2012 Page: 147-180
ISBN/ISSN: 978-0-470-97076-8
Authors: E. Besalú, J. V. de Julián Ortiz, L. Pogliani
Book title: Chemical Information and Computational Challenges in the 21st Century
Chapter number: 10 Chapter Title: Orthogonal Regression Methods in Chemical Modeling
Editors: Mihai V. Putz Editorial: NOVA Publishing Inc.
Location: New York Year: 2012 Page: 243-259
ISBN/ISSN: ISBN-10: 161209712X, ISBN-13: 978-1-61209-712-1
Authors: S. Simon, M. Sola, E. Besalu, J. M. Luis, P. Salvador, S. Vyboishchikov, L. Blancafort, M. Duran
Book title: INTED2012: International technology, education and development conference
Chapter number: Chapter Title: Webquest as a didactic tool in physical chemistry
Editors: L. G. Chova, A. L. Martinez, I. C. Torres Editorial:
Location: Year: 2012 Page:
ISBN/ISSN: ISSN: 2340-1079, ISBN: 978-84-615-5563-5
Authors: Anna Company, Julio Lloret, Laura Gómez, Miquel Costas
Book title: Alkane C-H Activation by Single-Site Metal Catalysis
Chapter number: Chapter Title: Alkane C-H Oxidation Catalyzed by Transition Metal Complexes
Editors: Pedro J. Pérez Editorial: Springer
Location: Dortdrecht Year: 2012 Page: 143-228
ISBN/ISSN: 978-90-481-3697-1
Authors: Alexander A. Voityuk
Book title: Drug Design Strategies: Computational Techniques and Applications
Chapter number: 5 Chapter Title: Semi-empirical Methods: Current Status and Future Directions
Editors: Banting, Lee and Clark, Tim Editorial: The Royal Society of Chemistry
Location: Year: 2012 Page: 107-119
ISBN/ISSN: 978-1-84973-167-6 (Print), 978-1-84973-340-3 (Online)
Authors: Alexander A. Voityuk
Book title: Drug Design Strategies: Computational Techniques and Applications
Chapter number: 5 Chapter Title: Semi-empirical Methods: Current Status and Future Directions
Editors: Lee Banting, Tim Clark Editorial: Royal Society of Chemistry
Location: Year: 2012 Page: 107-119
ISBN/ISSN: 978-1-84973-167-6
Authors: Laura Gómez
Book title: New strategies in chemica synthesis and catalysis
Chapter number: 7 Chapter Title: Iron-Catalyzed Csp3-H Oxidation with H2O2: Converting a Radical Reaction into a Selective and Efficient Synthetic Tool
Editors: Bruno Pignataro Editorial: Wiley
Location: Year: 2012 Page:
ISBN/ISSN: 9783527645824 (online), 9783527330904 (print)
Authors: S. Osuna, M. Swart and M. Solà
Book title: Carbon Bonding and Structures: Advances in Physics and Chemistry
Chapter number: 4 Chapter Title: The Chemical Reactivity of Fullerenes and Endohedral Fullerenes: A Theoretical Perspective
Editors: M.V. Putz Editorial: Springer
Location: Berlin-London-New York Year: 2011 Page: 57-78
ISBN/ISSN: ISBN: 978-94-007-1732-9 (Print) 978-94-007-1733-6 (Online)
Authors: Ana Company, Laura Gómez, Miquel Costas
Book title: Iron-containing enzymes: versatile catalysts of hydroxylation reactions in nature
Chapter number: Chapter Title: Bioinspired Non-heme Iron Catalysts in C-H and C=C Oxidation Reactions
Editors: Sam P. de Visser, Devesh Kumar Editorial: RSC Publishing
Location: Cambridge Year: 2011 Page: 148-208
ISBN/ISSN: 978-1-84973-181-2
Authors: Isaac Garcia-Bosch, Irene Prat, Xavi Ribas, Miquel Costas
Book title: Innovative Catalysis in Organic Synthesis
Chapter number: Chapter Title: Bioinspired Oxidations Catalyzed by Non-Heme Iron and Manganese Complexes
Editors: Pher Andersson Editorial: Wiley-VCH
Location: Weinheim Year: 2011 Page: 27-46
ISBN/ISSN: 978-3-527-33097-3
Authors: A. Roglans, A. Pla-Quintana
Book title: Reactive Intermediates. MS Investigations in Solution
Chapter number: 7 Chapter Title: Palladium Intermediates in Solution
Editors: Leonardo S. Santos Editorial: Wiley-VCH
Location: Weinheim Year: 2010 Page: 229-275
ISBN/ISSN: 978-3-527-32351-7
Authors: E. Besalú
Book title: Termodinàmica Química. Un llibre d’autoaprenentatge. 2a edició revisada
Chapter number: Chapter Title:
Editors: Editorial: Edicions a Petició SL. Quaderns, 9
Location: Girona Year: 2010 Page:
ISBN/ISSN: 978-84-92707-66-9
Authors: E. Besalú, J. V. de Julián Ortiz, L. Pogliani
Book title: Quantum Frontiers of Atoms and Molecules
Chapter number: Chapter Title: On Plots in QSAR/QSPR Methodologies
Editors: Mihai V. Putz Editorial: NOVA Publishing Inc.
Location: New York Year: 2010 Page: 589-605
ISBN/ISSN: ISBN 978-1-61668-158-6
Authors: M. Swart, M. Solà and F.M. Bickelhaupt
Book title: Handbook of Computational Chemistry Research
Chapter number: 3 Chapter Title: Constraining optimized exchange
Editors: C.T. Collett, C.D. Robson Editorial: Nova Science
Location: Year: 2010 Page: 97-125
ISBN/ISSN:
Authors: M. Swart, M. Güell and M. Solà
Book title: Quantum Biochemistry: Electronic structure and biological activity
Chapter number: 19 Chapter Title: Accurate description of spin states and its implications for catalysis
Editors: C.F. Matta Editorial: Wiley
Location: Weinheim Year: 2010 Page: 551-853
ISBN/ISSN: Print ISBN: 9783527323227; Online ISBN: 9783527629213
Authors: Anna Company
Book title: Ideas in Chemistry and Molecular Sciences: Where Chemistry Meets Life
Chapter number: Chapter Title: O2 Reactivity at Model Copper Systems: Mimicking Tyrosinase Reactivity
Editors: Bruno Pignataro Editorial: Wiley-VCH
Location: Weinheim Year: 2010 Page: 267-289
ISBN/ISSN: 978-3-527-32541-2
Authors: Xavi Ribas, Alicia Casitas
Book title: Ideas in Chemistry and Molecular Sciences: Where Chemistry Meets Life
Chapter number: Chapter Title: The Bioinorganic and Organometallic Chemistry of Copper(III)
Editors: Bruno Pignataro Editorial: Wiley-VCH
Location: Weinheim Year: 2010 Page: 31-58
ISBN/ISSN: 978-3-527-32541-2
Authors: A. Correa, A. Poater, F. Ragone and L. Cavallo
Book title: Green Metathesis Chemistry. NATO Science for Peace and Security Series A: Chemistry and Biology
Chapter number: Chapter Title: A Comparison of the Performance of the Semiempirical PM6 Method Versus DFT Methods in Ru-Catalyzed Olefin Metathesis
Editors: Dragutan V., Demonceau A., Dragutan I., Finkelshtein E.S. Editorial: Springer
Location: Year: 2010 Page: 281-292
ISBN/ISSN: 978-90-481-3433-5 (Online), 978-90-481-3431-1 (Print)
Authors: E. Besalú
Book title: Termodinàmica Química. Un llibre d’autoaprenentatge
Chapter number: Chapter Title:
Editors: Editorial: Edicions a Petició SL
Location: Girona Year: 2009 Page:
ISBN/ISSN: 978-84-96742-93-2
Authors: Blancafort, L.; Lasorne, B.; Bearpark, M. J.; Worth, G. A.; Robb, M. A.
Book title: The Jahn-Teller effect. Fundamentals and implications for physics and chemistry (Springer Series in Chemical Physics, Vol. 97)
Chapter number: Chapter Title: Second–Order Analysis of Conical Intersections: Applications to Photochemistry and Photophysics of Organic Molecules
Editors: Köppel, H.; Yarkony, D.; Barentzen, H. Editorial: Springer
Location: Amsterdam Year: 2009 Page: 169-200
ISBN/ISSN:
Authors:
Book title: Agua recreativa. Observaciones y experiencias con agua
Chapter number: Chapter Title:
Editors: Gustavo Gili Editorial: Competium S.L.
Location: Girona Year: 2008 Page:
ISBN/ISSN: 9788461238828
Authors: Blancafort, L.; Bearpark, M. J.; Robb, M. A.
Book title: Radiation Induced Molecular Phenomena in Nucleic Acids (Challenges and Advances in Computational Chemistry and Physics, Vol. 5)
Chapter number: Chapter Title: Computational modeling of cytosine photophysics and photochemistry: from the gas phase to DNA
Editors: Shukla, M.; Leszczynski, J. Editorial: Springer
Location: Dordrecht Year: 2008 Page: 473-492
ISBN/ISSN:
Authors: P.Th. van Duijnen, M. Swart and F.C. Grozema
Book title: Solvation Effects on Molecules and Biomolecules: Computational Methods and Applications
Chapter number: 3 Chapter Title: The Discrete Reaction Field approach for calculating solvent effects
Editors: S. Canuto Editorial: Springer
Location: Netherlands Year: 2008 Page: 39-102
ISBN/ISSN: 978-1-4020-8269-6 (Print) 978-1-4020-8270-2 (Online)
Authors: Miquel Duran, Emili Besalú, Marta Planas, Josep Duran
Book title: INTED2007 Proceedings
Chapter number: Chapter Title: Successes and failures of enhancing the bridge between secondary and higher education. Project LAQUIMICA.NET
Editors: L. Gómez, D. Chova, M. Belenguer, I. Candel Torres Editorial: IATED
Location: Valencia Year: 2007 Page:
ISBN/ISSN: 978-84-611-4517-1
Authors: Juan J. Novoa, Antonio Largo, Carmen Barrientos, Emili Besalú
Book title: Theoretical and Computational Chemistry. Foundations, methods and techniques
Chapter number: 5 Chapter Title: Computational Techniques: Computer Programming and Numerical Calculus
Editors: J. Andrés, J. Bertran Editorial: Edicions Universitat Jaume I
Location: Year: 2007 Page: 279-384
ISBN/ISSN: 978-84-8021-615-9
Authors:
Book title: Ciència recreativa comentada
Chapter number: Chapter Title:
Editors: Gustavo Gili Editorial: Ajuntament de Barcelona
Location: Barcelona Year: 2007 Page:
ISBN/ISSN: 978-84-9850-051-6
Authors: Miquel Torrent-Sucarrat, Lluís Blancafort, Miquel Duran, J. M. Luis and Miquel Solà
Book title: Theoretical Aspects of Chemical Reactivity
Chapter number: 3 Chapter Title: The breakdown of the Maximum Hardness and Minimum Polarizability Principles for Nontotally Symmetric Vibrations
Editors: Alejandro Toro-Labbé Editorial: Elsevier
Location: Amsterdam, The Netherlands Year: 2007 Page: 31-45
ISBN/ISSN: 1380-7323
Authors: Torrent-Sucarrat, M.; Blancafort, L.; Duran, M.; Luis, J. M.; Solà, M.
Book title: Theoretical Aspects of Chemical Reactivity (Theoretical and Computational Chemistry Series, Vol. 19)
Chapter number: Chapter Title: The breakdown of the maximum hardness and minimum polarizability principles for nontotally symmetric vibrations
Editors: Toro-Labbé, A. Editorial: Elsevier
Location: Amsterdam Year: 2007 Page: 31-45
ISBN/ISSN:
Authors: Miquel Torrent-Sucarrat, Lluís Blancafort, Miquel Duran, Josep M. Luis, MiquelSolà
Book title: Theoretical Aspects of Chemical Reactivity
Chapter number: 3 Chapter Title: The breakdown of the maximum hardness and minimum polarizability principles for nontotally symmetric vibrations
Editors: Alejandro Toro-Labbé Editorial: Elsevier
Location: Year: 2007 Page: 31-45
ISBN/ISSN:
Authors: Paulina González, Jordi Poater, Gabriel Merinoa, Thomas Heinec, Miquel Solà, Juvencio Robles
Book title: Theoretical Aspects of Chemical Reactivity
Chapter number: 10 Chapter Title: Electronic structure and reactivity of aromatic metal clusters
Editors: Alejandro Toro-Labbé Editorial: Elsevier
Location: Year: 2007 Page: 203-218
ISBN/ISSN: 9780080466781 (online), 9780444527196 (print)
Authors: Eduard Matito, Jordi Poater, Miquel Solá
Book title: The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design
Chapter number: 15 Chapter Title: Aromaticity Analysis by Means of the Quantum Theory of Atoms in Molecules
Editors: Prof. Chérif F. Matta, Prof. Russell J. Boyd Editorial: Wiley
Location: Year: 2007 Page: 399-423
ISBN/ISSN: 9783527610709 (online), 9783527307487 (print)
Authors: Bernard Kirtman and Josep M. Luis
Book title: Non-Linear Optical Properties of Matter, From Molecules to Condensed Phases
Chapter number: 3 Chapter Title: Determination of Vibrational Contributions to Linear and Nonlinear optical properties
Editors: M.G. Papadopoulos, A. J. Sadlej and J. Leszczynski Editorial: Springer
Location: Dordrecht, The Netherlands, Year: 2006 Page: 101-134
ISBN/ISSN: 1-4020-4849-1 / 1-4020-4850-5
Authors: Bertran, J.; Blancafort, L.; Noguera, M.; Sodupe, M.
Book title: Computational Studies of RNA and DNA (Challenges and Advances in Computational Chemistry and Physics, Vol. 2)
Chapter number: Chapter Title: Proton transfer in DNA base pairs
Editors: Šponer, J., Lankaš, F. Editorial: Springer
Location: Dordrecht Year: 2006 Page: 411-432
ISBN/ISSN:
Authors: Alexander A. Voityuk
Book title: Computational Studies of RNA and DNA
Chapter number: 19 Chapter Title: Computational modeling of Charge Transfer in DNA
Editors: J. Šponer, F. Lankaš Editorial: Springer
Location: Dordrecht Year: 2006 Page: 485-511
ISBN/ISSN: 978-1-4020-4851-7 (online), 978-1-4020-4794-7 (print)
Authors: Alexander A. Voityuk
Book title: Modern Methods for Theoretical Physical Chemistry of Biopolymers
Chapter number: 5 Chapter Title: Quantum chemical modeling of charge transfer in DNA
Editors: Evgeni B. Starikov, James P. Lewis, Shigenori Tanaka Editorial: Elsevier
Location: Year: 2006 Page: 99-119
ISBN/ISSN: 978-0-444-52220-7
Authors: Blancafort, L.; Ogliaro, M.; Olivucci, M.; Robb, M. A.; Bearpark, M. J.; Sinicropi, A.
Book title: Computational Methods in Photochemistry (Molecular and Supramolecular Photochemistry, Vol. 13)
Chapter number: Chapter Title: Computational investigation of photochemical reaction mechanisms
Editors: Kutateladze, A. Editorial: CRC Press
Location: Boca Raton, FLA Year: 2005 Page: 31-110
ISBN/ISSN:
Authors: N. Rösch, A. A. Voityuk
Book title: Long Range Charge Transfer in DNA, Vol. 2
Chapter number: 2 Chapter Title: Quantum chemical calculation of donor-acceptor coupling for charge transfer in DNA
Editors: G. B. Shuster Editorial: Springer
Location: Berlin Year: 2004 Page: 37-72
ISBN/ISSN: 0340-1022
Authors: E. Besalú
Book title: Termodinàmica Estadística. Una introducció amb problemes resolts i comentats
Chapter number: Chapter Title:
Editors: Editorial: Ediciones UPC i CIMNE. Serie Politext, volúmenes 158 y 159
Location: Barcelona Year: 2004 Page: 567
ISBN/ISSN: 84-8301-756-3
Authors: J. Miró, M. Duran, M. Solà, J. Martí, S. Simon, J. M. Luis, E. Besalú i X. Fradera
Book title: La Innovació docent a la Universitat de Girona: presentació de projectes d’innovació docent.
Chapter number: Chapter Title: Piràmide conceptual virtual: desllorigar els coneixements millorar l’aprenentatge
Editors: Editorial: Universitat de Girona. Institut de Ciències de l’Educació Josep Pallach
Location: Girona Year: 2003 Page: 173-186
ISBN/ISSN: 84-8458-183-7
Authors: J. Miró, M. Duran, M. Solà, J. Martí, S. Simon, J. M. Luis, E. Besalú, X. Fradera
Book title: La innovació docent a la Universitat de Girona
Chapter number: Chapter Title: Pirámide conceptual virtual: desllorigar els coneixements, millorar l’aprenentatge
Editors: Editorial:
Location: Girona Year: 2003 Page: 175-185
ISBN/ISSN: 84-8458-183-7
Authors: R. Carbó-Dorca, L. Amat, E. Besalú, X. Gironés, D. Robert
Book title: Fundamentals of Molecular Similarity
Chapter number: 12 Chapter Title: Quantum Molecular Similarity: Theory and Applications to the Evaluation of Molecular Properties, Biological Activities and Toxicity
Editors: Carbó-Dorca R., Gironés X., Mezey P. G. Editorial: Kluwer Acad./ Plenum Pub.
Location: New York Year: 2001 Page: 187-320
ISBN/ISSN: 0-306-46425-X
Authors: R. Carbó-Dorca, D. Robert, L. Amat, X. Gironés, E. Besalú
Book title: Molecular Quantum Similarity in QSAR and Drug Design
Chapter number: Chapter Title:
Editors: Lecture Notes in Chemistry . Vol 73 Editorial: Springer-Verlag
Location: Berlín Year: 2000 Page:
ISBN/ISSN: 0342-4901 , 3-540-67581-7
Authors: R. Carbó-Dorca, E. Besalú, X. Gironés
Book title: Adv. Quantum Chem. Vol. 3
Chapter number: Chapter Title: Extended Density Functions
Editors: Editorial: Kluwer Acad. Press.
Location: Dordretch Year: 2000 Page: 1-63
ISBN/ISSN: 0-12-034838-1
Authors: Ramon Carbó-Dorca, David Robert, Lluís Amat, Xavier Gironés, Emili Besalú
Book title: Molecular Quantum Similarity in QSAR and Drug Design
Chapter number: 7 Chapter Title: Quantum Similarity extensions to non-molecular systems: Nuclear Quantum Similarity
Editors: Ramon Carbó-Dorca, David Robert, Lluís Amat, Xavier Gironés, Emili Besalú Editorial: Springer
Location: Berlin Year: 2000 Page: 96-108
ISBN/ISSN: 978-3-642-57273-9 (online), 978-3-540-67581-5 (print)
Authors: P.Th. van Duijnen, M. Swart and F.C. Grozema
Book title: ACS Symposium Series 712
Chapter number: 14 Chapter Title: QM/MM calculation of (hyper-)polarizabilities with the Direct Reaction Field approach
Editors: Jiali Gao, Mark A. Thompson Editorial: ACS
Location: Year: 1999 Page: 220-232
ISBN/ISSN: 9780841235908
Authors: R.Carbó, E.Besalú
Book title: Strategies and Applications in Quantum Chemistry: from Astrophysics to Molecular Engineering. Vol 14.
Chapter number: Chapter Title: Applications of Nested Summation Symbols to Quantum Chemistry: Formalism and Programming Techniques
Editors: M. Defranceschi, Y. Ellinger Editorial: Kluwer Ac. Pub.
Location: Amsterdam Year: 1996 Page: 229-248
ISBN/ISSN: 0-7923-3837-5
Authors: E.Besalú, R.Carbó, J.Mestres, M.Solà
Book title: Topics in Current Chemistry vol. 173, Molecular Similarity
Chapter number: Chapter Title: Foundations and Recent Developments on Molecular Quantum Similarity
Editors: K. Sen Editorial: Springer-Verlag
Location: Berlín Year: 1995 Page: 31-62
ISBN/ISSN:
Authors: Mestres J, Solà M, Besalú E, Duran M, Carbó R
Book title: Molecular Similarity and Reactivity: From Quantum Chemical to Phenomenological Approaches
Chapter number: Chapter Title: Electron density approximations for the rapid evaluation of Quantum Molecular Similarity Measures
Editors: R. Carbó Editorial: Kluwer Acad.
Location: Dordrecht Year: 1995 Page: 77-85
ISBN/ISSN: 978-0-7923-3309-8
Authors: E.Besalú, R.Carbó, M.Duran, J.Mestres, M.Solà
Book title: Methods and Techniques in Computational Chemistry: METECC-95
Chapter number: Chapter Title: MESSEM: A Quantum Molecular Similarity System of Programs
Editors: E. Clementi, G. Corongiu Editorial: STEF
Location: Cagliari Year: 1995 Page: 491-508
ISBN/ISSN: 88-86327-02-1
Authors: E.Besalú, L.Amat, X.Fradera, R.Carbó
Book title: QSAR and Molecular Modelling: Concepts, Computational Tools and Biological Applications
Chapter number: Chapter Title: An application of the Molecular Quantum Similarity: Ordering of some Properties of the Hexanes
Editors: F. Sanz, J.Giraldo and F. Manaut Editorial: Prous Pub.
Location: Barcelona Year: 1995 Page: 396-399
ISBN/ISSN: 84-8124-079-6
Book title: Aromaticity and Antiaromaticity: Basics and Applications
Book title: Theoretical and Quantum Chemistry at the Dawn of the 21st Century
Book title: Modern Physical Chemistry. Engineering Models, Materials and Methods with Applications
Book title: Spin states in biochemistry and inorganic chemistry: Influence on Structure and Reactivity
Book title: C-H and C-X Bond Functionalization. Transition Metal Mediation
Book title: Fundamentals of Molecular Similarity
Book title: Advances in Molecular Similarity. Vol. 2
Book title: Advances in Molecular Similarity. Vol. 1
Book title: Molecular Similarity and Reactivity: From Quantum Chemical to Phenomenological Approaches. Understanding Chemical Reactivity