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1.
Spectroscopic investigations, concentration dependent SERS, and molecular docking studies of a hydroxybenzylidene derivative.
J Biomol Struct Dyn
; 40(15): 6952-6964, 2022 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-33645445
2.
Conformational analysis and quantum descriptors of two new imidazole derivatives by experimental, DFT, AIM, molecular docking studies and adsorption activity on graphene.
Heliyon
; 6(10): e05182, 2020 Oct.
Artículo
en Inglés
| MEDLINE | ID: mdl-33072922
3.
Spectral characterization, thermochemical studies, periodic SAPT calculations and detailed quantum mechanical profiling various physico-chemical properties of 3,4-dichlorodiuron.
Spectrochim Acta A Mol Biomol Spectrosc
; 228: 117580, 2020 Mar 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-31748158
4.
Detailed quantum mechanical, molecular docking, QSAR prediction, photovoltaic light harvesting efficiency analysis of benzil and its halogenated analogues.
Heliyon
; 5(11): e02825, 2019 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-31763480
5.
Conformational profile, vibrational assignments, NLO properties and molecular docking of biologically active herbicide1,1-dimethyl-3-phenylurea.
Heliyon
; 5(6): e01987, 2019 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-31304416
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