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Showing 10 out of a total of 50 results. (0.013 seconds)

Now showing items 31-40 of 50

On the reliability of pure and hybrid DFT methods for the evaluation of halogen, chalcogen and pnicogen bonds involving anionic and neutral electron donors

Bauza, A.; Alkorta, I.; Frontera, A.; Elguero, J.
Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CH···F bonds

Degtyarenko, A.S.; Rusanov, E.B.; Bauza, A.; Frontera, A.; Krautscheid, H.; Chernega, A.N.; Mokhir, A.A.; Domasevitch, K.V.
Reversible Switching of the Electronic Ground State in a Pentacoordinated Copper(II) Complex

Sasmal, A.; Saha, S.; Gomez Garcia, C.J.; Desplanches, C.; Garribba, E.; Bauza, A.; Frontera, A.; Scott, R.; Butcher, R.J.; Mitra, S.
Kinetics and mechanism of the oxidation of hydroxylamine by a {Mn(3)O(4)}(4+) core in aqueous acidic media

Mandal, P.C.; Chakraborty, M.; Das, S.; Estarellas, C.; Quiñonero, D.; Frontera, A.; Mukhopadhyay, S.
Relevant anion-pi interactions in biological systems: the case of Urate Oxidase

Estarellas, C.; Frontera, A.; Quiñonero, D.; Deyà, P.M.
Theoretical Study on Cooperativity Effects between Anion-pi and Halogen-Bonding Interactions

Estarellas, C.; Frontera, A.; Quiñonero, D.; Deya, P.M.
Putting Anion-pi Interactions Into Perspective

Frontera, A.; Gamez, P.; Mascal, M.; Mooibroek, T.J.; Reedijk, J.
The Role of the Ethynyl Substituent on the pi-pi Stacking Affinity of Benzene: A Theoretical Study

Lucas, X.; Quiñonero, D.; Frontera, A.; Deyà, P.M.
Theoretical ab initio study of substituted benzene trimer: Interplay between hydrogen bonding and π-π interactions

Estarellas, C.; Frontera, A.; Quiñonero, D.; Deyà, P.M.
Design of a dual sensing highly selective cyanide chemodosimeter based on pyridinium ring chemistry

Mashraqui, S.H.; Betkar, R.; Chandiramani, M.; Estarellas, C.; Frontera, A.

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