| 1 |
Antioxidant Activity of an Industrial Cupuassu Seed By-product: Molecular Modeling of Phenolic Compounds
da Costa RS, Silva ND, Alves TVG, da Silva MF, Brasil DDB, Ribeiro-Costa RM, Converti A, Silva JOC
Chemical Engineering & Technology, 42(2), 397, 2019 |
| 2 |
Sublimation enthalpy of 1-aminoadamantane: Comparison of theory and experiment
Dorofeeva OV, Filimonova MA
Chemical Physics Letters, 711, 231, 2018 |
| 3 |
Understanding the thermodynamic and kinetic performances of the substituted phosphorus ylides as a new class of compounds in carbon dioxide activation
Sabet-Sarvestani H, Izadyar M, Eshghi H, Noroozi-Shad N
Energy, 145, 329, 2018 |
| 4 |
Single-electron aerogen bonds: Do they exist?
Esrafili MD, Mohammadian-Sabet F, Solimannejad M
Chemical Physics Letters, 659, 196, 2016 |
| 5 |
Detailed surface study of adsorbed nickel on Al12N12 nano-cage
Rad AS, Ayub K
Thin Solid Films, 612, 179, 2016 |
| 6 |
DFT study of adsorption of picric acid molecule on the surface of single-walled ZnO nanotube; as potential new chemical sensor
Farmanzadeh D, Tabari L
Applied Surface Science, 324, 864, 2015 |
| 7 |
Synthesis, X-Ray Structural, Characterization, NLO, MEP, NBO, and HOMO-LUMO Analysis Using DFT Study of Co(II)bis(3,4 dimethoxybenzoate)bis(nicotinamide) Dihydrate
Kaya EC, Demircioglu Z, Kaya AA, Buyukgungor O
Molecular Crystals and Liquid Crystals, 609(1), 103, 2015 |
| 8 |
Understanding the effect of heteroatoms on structural and electronic properties of conjugated polymers
Bhatta RS, Tsige M
Polymer, 56, 293, 2015 |
| 9 |
Electrostatic potential as a tool to understand interactions between malaria vaccine candidate peptides and MHC II molecules
Agudelo WA, Galindo JF, Patarroyo ME
Biochemical and Biophysical Research Communications, 410(3), 410, 2011 |
| 10 |
3D QSAR Pharmacophore Modeling, in Silico Screening, and Density Functional Theory (DFT) Approaches for Identification of Human Chymase Inhibitors
Arooj M, Thangapandian S, John S, Hwang S, Park JK, Lee KW
International Journal of Molecular Sciences, 12(12), 9236, 2011 |
