Isabel Rozas

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Ibon Alkorta(ORCID:0000-0001-6876-...Instituto de Química Médica (CSIC)Verified email at iqm.csic.es
Luis F. CalladoUPV/EHU, CIBERSAMVerified email at ehu.es
Cristina TrujilloLecturer in Computational & Theoretical Chemistry Department of Chemistry The University ofVerified email at manchester.ac.uk
Fernando Blanco VicenteFarmacia Blanco VicenteVerified email at farmaciablancovicente.com
Otilia MoUniversidad Autónoma de MadridVerified email at uam.es
Graeme WatsonProfessor of Theoretical Chemistry, Trinity College DublinVerified email at tcd.ie
Carolina MuguruzaDepartment of Pharmacology UPV/EHU and CIBERSAMVerified email at ehu.es
Jose L.G. de PazProfesor Titular de la UAM (España)Verified email at telefonica.net
Rosa M ClaramuntProfessor of Organic Chemistry, UNEDVerified email at ccia.uned.es
Elies MolinsResearch Professor, CSICVerified email at icmab.es
Mohammad SolimannejadProfessor of Computational Quantum Chemistry, Arak UniversityVerified email at araku.ac.ir
Paul E. KrugerProfessor of Chemistry, University of CanterburyVerified email at canterbury.ac.nz
Martin PetersIrish Centre for High-End Computing (ICHEC)Verified email at ichec.ie
Nuria CampilloCientífico Titular, CIB-CSICVerified email at csic.es
David G. LloydUniversity of South AustraliaVerified email at unisa.edu.au
Aurea EchevarriaProfessora de Química, UFRRJVerified email at ufrrj.br
Paul MurphyUniversity of Galway Professor of ChemistryVerified email at nuigalway.ie
Mathias O. SengeChair of Organic Chemistry, Trinity College DublinVerified email at tcd.ie
Antonio de la HozUniversidad de Castilla-La ManchaVerified email at uclm.es
James T. MurraySwansea UniversityVerified email at swansea.ac.uk

Isabel Rozas

Professor, Trinity College Dublin

Verified email at tcd.ie

Medicinal Chemistry Computational Chemistry Cancer Depression Weak interactions


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Behavior of ylides containing N, O, and C atoms as hydrogen bond acceptors I Rozas, I Alkorta, J Elguero Journal of the American Chemical Society 122 (45), 11154-11161, 2000	1515	2000
Non-conventional hydrogen bonds I Alkorta, I Rozas, J Elguero Chemical Society Reviews 27 (2), 163-170, 1998	667	1998
Interaction of anions with perfluoro aromatic compounds I Alkorta, I Rozas, J Elguero Journal of the American Chemical Society 124 (29), 8593-8598, 2002	545	2002
About the evaluation of the local kinetic, potential and total energy densities in closed-shell interactions E Espinosa, I Alkorta, I Rozas, J Elguero, E Molins Chemical physics letters 336 (5-6), 457-461, 2001	455	2001
Bifurcated hydrogen bonds: three-centered interactions I Rozas, I Alkorta, J Elguero The Journal of Physical Chemistry A 102 (48), 9925-9932, 1998	275	1998
Unusual Hydrogen Bonds: H⊙⊙⊙ π Interactions I Rozas, I Alkorta, J Elguero The Journal of Physical Chemistry A 101 (49), 9457-9463, 1997	247	1997
Charge-transfer complexes between dihalogen compounds and electron donors I Alkorta, I Rozas, J Elguero The Journal of Physical Chemistry A 102 (46), 9278-9285, 1998	205	1998
An attractive interaction between the π-cloud of C6F6 and electron-donor atoms I Alkorta, I Rozas, J Elguero The Journal of Organic Chemistry 62 (14), 4687-4691, 1997	203	1997
Molecular complexes between silicon derivatives and electron-rich groups I Alkorta, I Rozas, J Elguero The Journal of Physical Chemistry A 105 (4), 743-749, 2001	198	2001
On the nature of hydrogen bonds: an overview on computational studies and a word about patterns I Rozas Physical Chemistry Chemical Physics 9 (22), 2782-2790, 2007	189	2007
Imidazoline binding sites and their ligands: an overview of the different chemical structures C Dardonville, I Rozas Medicinal research reviews 24 (5), 639-661, 2004	173	2004
Bond length–electron density relationships: from covalent bonds to hydrogen bond interactions I Alkorta, I Rozas, J Elguero Structural Chemistry 9, 243-247, 1998	167	1998
The reaction between hydrazines and β-dicarbonyl compounds: proposal for a mechanism SP Singh, D Kumar, H Batra, R Naithani, I Rozas, J Elguero Canadian Journal of Chemistry 78 (8), 1109-1120, 2000	139	2000
Intramolecular Hydrogen Bonds in ortho-Substituted Hydroxybenzenes and in 8-Susbtituted 1-Hydroxynaphthalenes: Can a Methyl Group Be an Acceptor of … I Rozas, I Alkorta, J Elguero The Journal of Physical Chemistry A 105 (45), 10462-10467, 2001	132	2001
Comparison of models to correlate electron density at the bond critical point and bond distance I Alkorta, L Barrios, I Rozas, J Elguero Journal of Molecular Structure: THEOCHEM 496 (1-3), 131-137, 2000	131	2000
Some aryl semicarbazones possessing anticonvulsant activitie JR Dimmock, KK Sidhu, SD Tumber, SK Basran, M Chen, JW Quail, ... European journal of medicinal chemistry 30 (4), 287-301, 1995	128	1995
New bis (2-aminoimidazoline) and bisguanidine DNA minor groove binders with potent in vivo antitrypanosomal and antiplasmodial activity F Rodríguez, I Rozas, M Kaiser, R Brun, B Nguyen, WD Wilson, ... Journal of medicinal chemistry 51 (4), 909-923, 2008	112	2008
Inverse hydrogen-bonded complexes I Rozas, I Alkorta, J Elguero The Journal of Physical Chemistry A 101 (23), 4236-4244, 1997	107	1997
New aromatic iminoimidazolidine derivatives as α1-adrenoceptor antagonists: a novel synthetic approach and pharmacological activity C Dardonville, P Goya, I Rozas, A Alsasua, MI Martı́n, MJ Borrego Bioorganic & medicinal chemistry 8 (7), 1567-1577, 2000	99	2000
Effects of fluorine substitution on hydrogen bond interactions I Alkorta, I Rozas, J Elguero Journal of Fluorine Chemistry 101 (2), 233-238, 2000	89	2000

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