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Carolina Estarellas
Carolina Estarellas
在 ub.edu 的电子邮件经过验证
标题
引用次数
引用次数
年份
Supramolecular self-assembly of M-IDA complexes involving lone-pair··· π interactions: crystal structures, hirshfeld surface analysis, and DFT calculations [H2IDA …
SK Seth, I Saha, C Estarellas, A Frontera, T Kar, S Mukhopadhyay
Crystal growth & design 11 (7), 3250-3265, 2011
3292011
Cooperativity in multiple unusual weak bonds
I Alkorta, F Blanco, PM Deya, J Elguero, C Estarellas, A Frontera, ...
Theoretical Chemistry Accounts 126, 1-14, 2010
2812010
Relevant anion–π interactions in biological systems: The case of urate oxidase
C Estarellas, A Frontera, D Quiñonero, PM Deyà
Angew. Chem. Int. Ed 50 (2), 415-418, 2011
1962011
Quantification of nitrate− π interactions and selective transport of nitrate using calix [4] pyrroles with two aromatic walls
L Adriaenssens, C Estarellas, A Vargas Jentzsch, M Martinez Belmonte, ...
Journal of the American Chemical Society 135 (22), 8324-8330, 2013
1622013
Supramolecular assemblies involving anion–π and lone pair–π interactions: experimental observation and theoretical analysis
A Das, SR Choudhury, C Estarellas, B Dey, A Frontera, J Hemming, ...
CrystEngComm 13 (14), 4519-4527, 2011
972011
Very long‐range effects: cooperativity between anion–π and hydrogen‐bonding interactions
X Lucas, C Estarellas, D Escudero, A Frontera, D Quiñonero, PM Deyà
ChemPhysChem 10 (13), 2256-2264, 2009
922009
On the directionality of anion–π interactions
C Estarellas, A Bauzá, A Frontera, D Quiñonero, PM Deyà
Physical Chemistry Chemical Physics 13 (13), 5696-5702, 2011
872011
Theoretical Study on Cooperativity Effects between Anion–π and Halogen‐Bonding Interactions
C Estarellas, A Frontera, D Quiñonero, PM Deyà
ChemPhysChem 12 (15), 2742-2750, 2011
862011
Supramolecular assembly of Mg (II) complexes directed by associative lone Pair− π/π− π/π− Anion− π/π− Lone pair interactions
A Das, SR Choudhury, B Dey, SK Yalamanchili, M Helliwell, P Gamez, ...
The Journal of Physical Chemistry B 114 (15), 4998-5009, 2010
862010
Experimental and theoretical study of uracil derivatives: the crucial role of weak fluorine–fluorine noncovalent interactions
M Barceló-Oliver, C Estarellas, A García-Raso, A Terrón, A Frontera, ...
CrystEngComm 12 (11), 3758-3767, 2010
652010
Anion-pi interactions in flavoproteins
C Estarellas, A Frontera, D Quiñonero, PM Deyà
Chemistry-An Asian Journal, 2011, vol. 6, num. 9, p. 2316-2318, 2011
612011
Simultaneous interaction of tetrafluoroethene with anions and hydrogen-bond donors: a cooperativity study
I Alkorta, F Blanco, J Elguero, C Estarellas, A Frontera, D Quinonero, ...
Journal of Chemical Theory and Computation 5 (4), 1186-1194, 2009
582009
Energetic vs synergetic stability: a theoretical study
C Estarellas, A Frontera, D Quiñonero, I Alkorta, PM Deyà, J Elguero
The Journal of Physical Chemistry A 113 (13), 3266-3273, 2009
562009
Trinuclear and tetranuclear adduct formation between sodium perchlorate and copper (II) complexes of salicylaldimine type ligands: Structural characterization and theoretical …
S Biswas, S Naiya, MGB Drew, C Estarellas, A Frontera, A Ghosh
Inorganica Chimica Acta 366 (1), 219-226, 2011
542011
Concurrent mutations in RNA-dependent RNA polymerase and spike protein emerged as the epidemiologically most successful SARS-CoV-2 variant
S Ilmjärv, F Abdul, S Acosta-Gutiérrez, C Estarellas, I Galdadas, ...
Scientific reports 11 (1), 13705, 2021
532021
Interplay between cation–π and hydrogen bonding interactions: are non-additivity effects additive?
C Estarellas, A Frontera, D Quiñonero, PM Deyà
Chemical Physics Letters 479 (4-6), 316-320, 2009
502009
Anion− π Interactions in Four-Membered Rings
C Estarellas, MC Rotger, M Capo, D Quinonero, A Frontera, A Costa, ...
Organic Letters 11 (9), 1987-1990, 2009
462009
Theoretical ab initio study of the interplay between hydrogen bonding, cation–π and π–π interactions
C Estarellas, D Escudero, A Frontera, D Quinonero, PM Deya
Theoretical Chemistry Accounts 122, 325-332, 2009
452009
Lone pair–π vs π–π interactions in 5-fluoro-1-hexyluracil and 1-hexyluracil: a combined crystallographic and computational study
M Barceló-Oliver, C Estarellas, A García-Raso, A Terrón, A Frontera, ...
CrystEngComm 12 (2), 362-365, 2010
422010
Design of a dual sensing highly selective cyanide chemodosimeter based on pyridinium ring chemistry
SH Mashraqui, R Betkar, M Chandiramani, C Estarellas, A Frontera
New Journal of Chemistry 35 (1), 57-60, 2011
392011
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