Article ISI SCOPUS
MOLECULAR PHYSICS  (2018)

Computation of global reactivity descriptors and first hyper polarisability as a function of torsional angle of donor-acceptor substituted biphenyl ring system

Mandal, D; Maity, R; Beg, H; Salgado-Moran, G; Misra, A

Keywords: dft, polarisability, first hyperpolarisability, optical gap, electronic spatial extent (< R-2 >)

Más información

Título según WOS: Computation of global reactivity descriptors and first hyper polarisability as a function of torsional angle of donor-acceptor substituted biphenyl ring system
Título según SCOPUS: Computation of global reactivity descriptors and first hyper polarisability as a function of torsional angle of donor–acceptor substituted biphenyl ring system
Título de la Revista: MOLECULAR PHYSICS
Volumen: 116
Número: 4
Editorial: Taylor and Francis Ltd.
Fecha de publicación: 2018
Página de inicio: 515
Página final: 525
Idioma: English
DOI:

10.1080/00268976.2017.1406620
Notas: ISI, SCOPUS