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1.
SERS and DFT studies of 2-(trichloroacetyl)pyrrole chemisorbed on the surface of silver and gold coated thin films: In perspective of biosensor applications.
J Mol Recognit
; 34(11): e2921, 2021 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-34235798
2.
DFT investigation on the structural and vibrational behaviours of the non-protein amino acids in hybrid explicit/continuum solvent: a case of the zwitterions γ-aminobutyric and α - aminoisobutyric acids.
J Mol Model
; 30(1): 17, 2023 Dec 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-38157064
3.
Spectroscopic, quantum chemical, molecular docking and molecular dynamics investigations of hydroxylic indole-3-pyruvic acid: a potent candidate for nonlinear optical applications and Alzheimer's drug.
J Biomol Struct Dyn
; 40(21): 10651-10664, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-34263703
4.
Effects of counterions and solvents on the geometrical and vibrational features of dinucleoside-monophosphate (dNMP): case of 3',5'-dideoxycytidine-monophosphate (dDCMP).
J Mol Model
; 26(5): 99, 2020 Apr 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-32285211
5.
Hydration of l-glycylvaline and l-glycylvalylglycine zwitterions: Structural and vibrational studies using DFT method.
J Mol Graph Model
; 88: 194-202, 2019 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-30711801
6.
Solvent effects on the structures and vibrational features of zwitterionic dipeptides: L-diglycine and L-dialanine.
J Mol Model
; 21(8): 189, 2015 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-26149753
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