Miquel Solà - researchr alias

researchr

You are not signed in
Sign in
Sign up

Viewing Publication 1 - 27 from 27

2023

2 by fullerenesEnric Sabater, Miquel Solà, Pedro Salvador, Diego M. Andrada. jcc, 44(3):268-277, January 2023. [doi]

2019

2017

Is coronene better described by Clar's aromatic π-sextet model or by the AdNDP representation?Anand Kumar, Miquel Duran, Miquel Solà. jcc, 38(18):1606-1611, 2017. [doi]

The role of the long-range exchange corrections in the description of electron delocalization in aromatic speciesDariusz W. Szczepanik, Miquel Solà, Marcin Andrzejak, Barbara Pawelek, Justyna Dominikowska, Mercedes Kukulka, Karol Dyduch, Tadeusz M. Krygowski, Halina Szatylowicz. jcc, 38(18):1640-1654, 2017. [doi]

2016

Complexes of adamantane-based group 13 Lewis acids and superacids: Bonding analysis and thermodynamics of hydrogen splittingMajid El-Hamdi, Miquel Solà, Jordi Poater, Alexey Y. Timoshkin. jcc, 37(15):1355-1362, 2016. [doi]

60 donor-acceptor conjugateJuan Pablo Martínez, Miquel Solà, Alexander A. Voityuk. jcc, 37(15):1396-1405, 2016. [doi]

2013

Corrigendum: Inter- and intramolecular dispersion interactionsMarcel Swart, Miquel Solà, F. Matthias Bickelhaupt. jcc, 34(27):2401-2402, 2013. [doi]

2011

2010

A Critical Assessment of the Performance of Magnetic and Electronic Indices of AromaticityMiquel Solà, Ferran Feixas, J. Oscar C. Jiménez-Halla, Eduard Matito, Jordi Poater. symmetry, 2(2):1156-1179, 2010. [doi]

2009

Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicineAlbert Poater, Ana Gallegos Saliner, Ramon Carbó-Dorca, Jordi Poater, Miquel Solà, Luigi Cavallo, Andrew P. Worth. jcc, 30(2):275-284, 2009. [doi]

Switching between OPTX and PBE exchange functionalsMarcel Swart, Miquel Solà, F. Matthias Bickelhaupt. jcmse, 9(1-2):69-77, 2009. [doi]

2008

On the performance of some aromaticity indices: A critical assessment using a test setFerran Feixas, Eduard Matito, Jordi Poater, Miquel Solà. jcc, 29(10):1543-1554, 2008. [doi]

The hardness kernel as the basis for global and local reactivity indicesMiquel Torrent-Sucarrat, Pedro Salvador, Miquel Solà, Paul Geerlings. jcc, 29(7):1064-1072, 2008. [doi]

2007

Covalent ::::versus:::: ionic bonding in alkalimetal fluoride oligomersF. Matthias Bickelhaupt, Miquel Solà, Célia Fonseca Guerra. jcc, 28(1):238-250, 2007. [doi]

Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methodsMarcel Swart, Miquel Solà, F. Matthias Bickelhaupt. jcc, 28(9):1551-1560, 2007. [doi]

On the quality of the hardness kernel and the Fukui function to evaluate the global hardnessMiquel Torrent-Sucarrat, Pedro Salvador, Paul Geerlings, Miquel Solà. jcc, 28(2):574-583, 2007. [doi]

2005

Ab initio and DFT benchmark study for nucleophilic substitution at carbon (SN2@C) and silicon (SN2@Si)A. Patrícia Bento, Miquel Solà, F. Matthias Bickelhaupt. jcc, 26(14):1497-1504, 2005. [doi]

Oxidative addition of the ethane C-C bond to Pd. An ::::ab initio:::: benchmark and DFT validation studyG. Theodoor De Jong, Daan P. Geerke, Axel Diefenbach, Miquel Solà, F. Matthias Bickelhaupt. jcc, 26(10):1006-1020, 2005. [doi]

2004

Second-order atomic Fukui indices from the electron-pair density in the framework of the atoms in molecules theoryXavier Fradera, Miquel Solà. jcc, 25(3):439-446, 2004. [doi]

2002

Electron localization and delocalization in open-shell moleculesXavier Fradera, Miquel Solà. jcc, 23(14):1347-1356, 2002. [doi]

2001

Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniquesJordi Poater, Miquel Duran, Miquel Solà. jcc, 22(14):1666-1678, 2001. [doi]

2000

Theoretical characterization of intramolecular proton transfer in the ground and the lowest-lying triplet excited states of 1-amino-3-propenal: a methodological comparisonMarta Forés, Miquel Duran, Miquel Solà, Ludwik Adamowicz. jcc, 21(4):257-269, 2000. [doi]

1995

Theoretical Investigation of the Relative Stabilites of XSSX and X::2::SS Isomers (X=F, C1, H, and CH::3::F. Matthias Bickelhaupt, Miquel Solà, Paul von Ragué Schleyer. jcc, 16(4):465-477, 1995.

1994

Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd)Miquel Solà, Jordi Mestres, Miquel Duran, Ramon Carbó. jcisd, 34(5):1047-1053, 1994. [doi]

All Publications

Filter by Year
OR AND NOT 1

Filter by Type
OR AND NOT 1

Filter by Tag
OR AND NOT 1

Filter by Venue
OR AND NOT 1

Filter by Author

[+]
OR AND NOT 1

Filter by Top Terms

[+]
OR AND NOT 1

Researchr

Publications by 'Miquel Solà'

Viewing Publication 1 - 27 from 27

2023

2019

2017

2016

2013

2011

2010

2009

2008

2007

2005

2004

2002

2001

2000

1995

1994

All Publications

Filter by YearOR AND NOT 1

Filter by TypeOR AND NOT 1

Filter by TagOR AND NOT 1

Filter by VenueOR AND NOT 1

Filter by Author [+]OR AND NOT 1

Filter by Top Terms [+]OR AND NOT 1

Researchr

Publications by 'Miquel Solà'

Viewing Publication 1 - 27 from 27

2023

2019

2017

2016

2013

2011

2010

2009

2008

2007

2005

2004

2002

2001

2000

1995

1994

Filter by Year
OR AND NOT 1

Filter by Type
OR AND NOT 1

Filter by Tag
OR AND NOT 1

Filter by Venue
OR AND NOT 1

Filter by Author

[+]
OR AND NOT 1

Filter by Top Terms

[+]
OR AND NOT 1