De Almeida WB - Search Results

1

Ab Initio Highly Correlated Conformational Analysis of 1,2-Difluorethane and 1,2-Dichloroethane.

Franco ML, Ferreira DE, Santos HF, De Almeida WB. Franco ML, et al. Among authors: de almeida wb. J Chem Theory Comput. 2008 May;4(5):728-39. doi: 10.1021/ct800014w. J Chem Theory Comput. 2008. PMID: 26621088

2

An ab initio correlated study of the potential energy surface for the HOBr.H2O complex.

Santos CM, Faria R, Machado SP, De Almeida WB. Santos CM, et al. Among authors: de almeida wb. J Chem Phys. 2004 Jul 1;121(1):141-8. doi: 10.1063/1.1755191. J Chem Phys. 2004. PMID: 15260531

3

Theoretical investigation of the reaction mechanism for the phosphate diester hydrolysis using an asymmetric dinuclear metal complex as a biomimetic model of the purple acid phosphatase enzyme.

Ferreira DE, De Almeida WB, Neves A, Rocha WR. Ferreira DE, et al. Among authors: de almeida wb. Phys Chem Chem Phys. 2008 Dec 14;10(46):7039-46. doi: 10.1039/b809189g. Epub 2008 Oct 14. Phys Chem Chem Phys. 2008. PMID: 19030600

4

Structure and properties of the 5a,6-anhydrotetracycline-platinum(II) dichloride complex: a theoretical ab initio study.

Dos Santos HF, Marcial BL, De Miranda CF, Costa LA, De Almeida WB. Dos Santos HF, et al. Among authors: de miranda cf, de almeida wb. J Inorg Biochem. 2006 Oct;100(10):1594-605. doi: 10.1016/j.jinorgbio.2006.05.013. Epub 2006 Jun 12. J Inorg Biochem. 2006. PMID: 16842852

5

Ab initio calculations on low-energy conformers of alpha-cyclodextrin.

Anconi CP, Nascimento CS Jr, Fedoce-Lopes J, Dos Santos HF, De Almeida WB. Anconi CP, et al. Among authors: de almeida wb. J Phys Chem A. 2007 Dec 6;111(48):12127-35. doi: 10.1021/jp0762424. Epub 2007 Nov 13. J Phys Chem A. 2007. PMID: 17997539

6

Theoretical study of the potential energy surface for the interaction of cisplatin and their aquated species with water.

Lopes JF, Rocha WR, Dos Santos HF, De Almeida WB. Lopes JF, et al. Among authors: de almeida wb. J Chem Phys. 2008 Apr 28;128(16):165103. doi: 10.1063/1.2909979. J Chem Phys. 2008. PMID: 18447507

7

Conformational analysis of the anhydrotetracycline molecule: a toxic decomposition product of tetracycline.

Dos Santos HF, De Almeida WB, Zerner MC. Dos Santos HF, et al. Among authors: de almeida wb. J Pharm Sci. 1998 Feb;87(2):190-5. doi: 10.1021/js970275l. J Pharm Sci. 1998. PMID: 9519152

8

Vibrational spectra of Na, K, Mn2+, Ni2+ and Zn2+ salts of 1,2,4,5-benzenetetracarboxylic (pyromellitic) acid--a short hydrogen bond evidence.

Diniz R, De Abreu HA, De Almeida WB, Fernandes NG, Sansiviero MT. Diniz R, et al. Among authors: de abreu ha, de almeida wb. Spectrochim Acta A Mol Biomol Spectrosc. 2005 Jun;61(8):1747-57. doi: 10.1016/j.saa.2004.07.005. Spectrochim Acta A Mol Biomol Spectrosc. 2005. PMID: 15863043

9

Supramolecular complex of fluoxetine with beta-cyclodextrin: an experimental and theoretical study.

de Sousa FB, Denadai AM, Lula IS, Lopes JF, Dos Santos HF, De Almeida WB, Sinisterra RD. de Sousa FB, et al. Among authors: de almeida wb. Int J Pharm. 2008 Apr 2;353(1-2):160-9. doi: 10.1016/j.ijpharm.2007.11.050. Epub 2007 Dec 3. Int J Pharm. 2008. PMID: 18255241

10

Supramolecular self-assembly of cyclodextrin and higher water soluble guest: thermodynamics and topological studies.

De Sousa FB, Denadai AM, Lula IS, Nascimento CS Jr, Fernandes Neto NS, Lima AC, De Almeida WB, Sinisterra RD. De Sousa FB, et al. Among authors: de almeida wb. J Am Chem Soc. 2008 Jul 2;130(26):8426-36. doi: 10.1021/ja801080v. Epub 2008 Jun 5. J Am Chem Soc. 2008. PMID: 18529008

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