검색결과 : 43건
| No. | Article |
|---|---|
| 1 |
Conformational Analysis of 5,4 '-Dihydroxy-7,5 ',3 '-trimethoxyisoflavone in Solution Using H-1 NMR: A Density Functional Theory Approach Hernandes IS, Da Silva HC, Dos Santos HF, De Almeida WB Journal of Physical Chemistry A, 124(25), 5182, 2020 |
| 2 |
Conformational control of cofactors in nature: The effect of methoxy group orientation on the electronic structure of ubisemiquinone De Almeida WB, O'Malley PJ Chemical Physics Letters, 695, 158, 2018 |
| 3 |
Theoretical investigation on the molecular inclusion process of urease inhibitors into p-sulfonic acid calix[4,6]arenes Reis S, Liberto NA, Fernandes SA, de Fatima A, De Almeida WB, Guimaraes L, Nascimento CS Chemical Physics Letters, 692, 117, 2018 |
| 4 |
Theoretical study on the formation process of Cross-Linked beta-Cyclodextrin molecular tubes Reis VS, Santos ES, Bonsolhos DNF, Guimaraes L, De Almeida WB, Nascimento CS Chemical Physics Letters, 677, 13, 2017 |
| 5 |
Structural analysis of flavonoids in solution through DFT H-1 NMR chemical shift calculations: Epigallocatechin, Kaempferol and Quercetin De Souza LA, Tavares WMG, Lopes APM, Soeiro MM, De Almeida WB Chemical Physics Letters, 676, 46, 2017 |
| 6 |
Water Solvent Effect on Theoretical Evaluation of H-1 NMR Chemical Shifts: o-Methyl-Inositol Isomer Dos Santos HF, Chagas MA, De Souza LA, Rocha WR, De Almeida MV, Anconi CPA, De Almeida WB Journal of Physical Chemistry A, 121(14), 2839, 2017 |
| 7 |
Theoretical investigation on the molecular inclusion process of prilocaine into p-sulfonic acid calix[6]arene de Sousa SMR, Fernandes SA, De Almeida WB, Guimaraes L, Abranches PAS, Varejao EVV, Nascimento CS Chemical Physics Letters, 646, 52, 2016 |
| 8 |
A DFT investigation on the host/guest inclusion process of prilocaine into beta-cyclodextrin de Sousa SMR, Guimaraes L, Ferrari JL, De Almeida WB, Nascimento CS Chemical Physics Letters, 652, 123, 2016 |
| 9 |
Stability and spatial arrangement of the 2,4-dichlorophenoxyacetic acid and beta-cyclodextrin inclusion compound: A theoretical study Pereira RA, Anconi CPA, Nascimento CS, De Almeida WB, Dos Santos HF Chemical Physics Letters, 633, 158, 2015 |
| 10 |
Inclusion process of tetracycline in beta and gamma-cyclodextrins: A theoretical investigation Costa MAS, Anconi CPA, Dos Santos HF, De Almeida WB, Nascimento CS Chemical Physics Letters, 626, 80, 2015 |