TY  - GEN
AU  - Frau, Juan
AU  - Glossman-Mitnik, Daniel
PY  - 2018
DO  - 10.3389/fchem.2018.00136
SN  - 2296-2646
UR  - https://hdl.handle.net/20.500.12105/22559
AB  - This computational study assessed eight fixed RSH (range-separated hybrid) density functionals that include CAM-B3LYP, LC-omega PBE, M11, MN12SX, N12SX, omega B97, omega B97X, and omega B97XD related to the Def2TZVP basis sets together with the SMD...
LA  - eng
PB  - Frontiers Media
KW  - BISARG
KW  - Conceptual DFT
KW  - Chemical reactivity
KW  - Dual descriptor
KW  - Parr functions
TI  - Conceptual DFT Study of the Local Chemical Reactivity of the Colored BISARG Melanoidin and Its Protonated Derivative
TY  - research article
ER  -