검색결과 : 7건
| No. | Article |
|---|---|
| 1 |
Ribosomal RNA-Aminoglycoside Hygromycin B Interaction Energy Calculation within a Density Functional Theory Framework Bezerra KS, Fulco UL, Esmaile SC, Neto JXL, Machado LD, Freire VN, Albuquerque EL, Oliveira JIN Journal of Physical Chemistry B, 123(30), 6421, 2019 |
| 2 |
DFT Calculations with van der Waals Interactions of Hydrated Calcium Carbonate Crystals CaCO3 center dot(H2O, 6H(2)O): Structural, Electronic, Optical, and Vibrational Properties Costa SN, Freire VN, Caetano EWS, Maia FF, Barboza CA, Fulco UL, Albuquerque EL Journal of Physical Chemistry A, 120(28), 5752, 2016 |
| 3 |
Vibrational Spectroscopy and Phonon-Related Properties of the (L)-Aspartic Acid Anhydrous Monoclinic Crystal Silva AM, Costa SN, Sales FAM, Freire VN, Bezerra EM, Santos RP, Fulco UL, Albuquerque EL, Caetano EWS Journal of Physical Chemistry A, 119(49), 11791, 2015 |
| 4 |
Electronic transport through oligopeptide chains: An artificial prototype of a molecular diode Oliveira JIN, Albuquerque EL, Fulco UL, Mauriz PW, Sarmento RG Chemical Physics Letters, 612, 14, 2014 |
| 5 |
Quantum biochemistry study of the T3-785 tropocollagen triple-helical structure Rodrigues CRF, Oliveira JIN, Fulco UL, Albuquerque EL, Moura RM, Caetano EWS, Freire VN Chemical Physics Letters, 559, 88, 2013 |
| 6 |
A comparative density functional theory study of electronic structure and optical properties of gamma-aminobutyric acid and its cocrystals with oxalic and benzoic acid da Silva JG, Freire VN, Caetano EWS, Ladeira LO, Fulco UL, Albuquerque EL Chemical Physics Letters, 587, 20, 2013 |
| 7 |
Electronic specific heat of an alpha(3)-helical polypeptide and its biochemical variants Mendes GA, Albuquerque EL, Fulco UL, Bezerril LM, Caetano EWS, Freire VN Chemical Physics Letters, 542, 123, 2012 |