First-Principles Study of the Dispersion Effects in the Structures and Keto–Enol Tautomerization of Curcumin |
LUSIA SILFIA PULO BOLI, S.Si, M.T |
ACS omega 8 (37), 34022-34033, 2023 |
2023 |
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The significance of long-range correction to the hydroperoxyl radical-scavenging reaction of trans-resveratrol and gnetin C |
LUSIA SILFIA PULO BOLI, S.Si, M.T |
Royal Society open science 8 (2), 201127, 2021 |
2021 |
4 |
Computational Investigation on the∙ OOH Scavenging Sites of Gnetin C |
LUSIA SILFIA PULO BOLI, S.Si, M.T |
Food Biophysics 16 (3), 337-345, 2021 |
2021 |
2 |
O—H and C—H bond dissociations in non-phenyl and phenyl groups: A DFT study with dispersion and long-range corrections |
LUSIA SILFIA PULO BOLI, S.Si, M.T |
Theoretical Chemistry Accounts 140 (7), 94, 2021 |
2021 |
2 |
Theoretical investigation on electron transfer-based antioxidant activity of melinjo resveratrol |
LUSIA SILFIA PULO BOLI, S.Si, M.T |
IOP Conference Series: Materials Science and Engineering 856 (1), 012005, 2020 |
2020 |
|
Theoretical exploration on free radical scavenging mechanism of curcumin analogues in water solvent |
LUSIA SILFIA PULO BOLI, S.Si, M.T |
IOP Conference Series: Materials Science and Engineering 856 (1), 012004, 2020 |
2020 |
|
Justification on cyclopropene to propyne isomerization pathway based on vibrational calculations |
LUSIA SILFIA PULO BOLI, S.Si, M.T |
Journal of Physics: Conference Series 1568 (1), 012001, 2020 |
2020 |
|
Theoretical study on frontier orbitals of dehydrogenated tetrahydrocurcumin in gas phase |
LUSIA SILFIA PULO BOLI, S.Si, M.T |
Journal of Physics: Conference Series 1204 (1), 012019, 2019 |
2019 |
1 |
Solvent Effect on Bond Dissociation Enthalpy (BDE) of Tetrahydrocurcumin: A Theoretical Study |
LUSIA SILFIA PULO BOLI, S.Si, M.T |
Materials Science Forum 966, 215-221, 2019 |
2019 |
|
Predicting notable radical scavenging sites of gnetin C using density functional theory |
LUSIA SILFIA PULO BOLI, S.Si, M.T |
Materials Science Forum 966, 229-233, 2019 |
2019 |
1 |
Frontier Orbitals of Dehydrogenated Tetrahydrocurcumin in Water Solvent: A Theoretical Study |
LUSIA SILFIA PULO BOLI, S.Si, M.T |
Journal of Physics: Conference Series 1090 (1), 012029, 2018 |
2018 |
2 |
Frontier Orbitals of Dehydrogenated Tetrahydrocurcumin in Water Solvent: A Theoretical Study |
LUSIA SILFIA PULO BOLI, S.Si, M.T |
IOP Publishing 1090, 1-21, 2017 |
2017 |
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