TY  - JOUR
AU  - Portela García de Blas, Susana
AU  - Fernández López, Israel
PY  - 2021
DO  - 10.3390/molecules26071885
SN  - 1420-3049
UR  - https://hdl.handle.net/20.500.14352/7486
T2  - Molecules
AB  - The factors responsible for the enhancement of the halogen bond by an adjacent hydrogen bond have been quantitatively explored by means of state-of-the-art computational methods. It is found that the strength of a halogen bond is enhanced by ca. 3...
LA  - eng
PB  - MDPI
KW  - halogen bond
KW  - bonding analysis
KW  - energy decomposition analysis
KW  - density functional theory
TI  - Nature of the Hydrogen Bond Enhanced Halogen Bond
TY  - journal article
VL  - 26
ER  -