Blueshift in Trifurcated Hydrogen Bonds: A Tradeoff between Tetrel Bonding and Steric Repulsion.

de Azevedo Santos, Lucas; van der Voort, Storm; Burema, Shiri R; Fonseca Guerra, Célia; Bickelhaupt, F Matthias

de Azevedo Santos, Lucas; van der Voort, Storm; Burema, Shiri R; Fonseca Guerra, Célia; Bickelhaupt, F Matthias.

Afiliación

de Azevedo Santos L; Department of Chemistry and Pharmaceutical Sciences, AIMMS, Vrije Universiteit, Amsterdam, De Boelelaan 1108, 1081 HZ Amsterdam, The Netherlands.
van der Voort S; Department of Chemistry and Pharmaceutical Sciences, AIMMS, Vrije Universiteit, Amsterdam, De Boelelaan 1108, 1081 HZ Amsterdam, The Netherlands.
Burema SR; Department of Chemistry and Pharmaceutical Sciences, AIMMS, Vrije Universiteit, Amsterdam, De Boelelaan 1108, 1081 HZ Amsterdam, The Netherlands.
Fonseca Guerra C; Department of Chemistry and Pharmaceutical Sciences, AIMMS, Vrije Universiteit, Amsterdam, De Boelelaan 1108, 1081 HZ Amsterdam, The Netherlands.
Bickelhaupt FM; Department of Chemistry and Pharmaceutical Sciences, AIMMS, Vrije Universiteit, Amsterdam, De Boelelaan 1108, 1081 HZ Amsterdam, The Netherlands.

Chemphyschem ; 25(1): e202300480, 2024 Jan 02.

Article en En | MEDLINE | ID: mdl-37864778

Palabras clave

Bond theory; Density functional calculations; Energy decomposition analysis; Hydrogen bonds; Noncovalent interactions

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: Chemphyschem Asunto de la revista: BIOFISICA / QUIMICA Año: 2024 Tipo del documento: Article País de afiliación: Países Bajos

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