화학공학소재연구정보센터
검색결과 : 7건
No. Article
1 Adsorption of water, sulfates and chloride on arsenopyrite surface
Silva JCM, dos Santos EC, de Oliveira A, Heine T, De Abreu HA, Duarte HA
Applied Surface Science, 434, 389, 2018
2 Structural and electronic properties of M-MOF-74 (M = Mg, Co or Mn)
de Oliveira A, de Lima GF, De Abreu HA
Chemical Physics Letters, 691, 283, 2018
3 Structural, Electronic, and Thermodynamic Properties of the T and B Phases of Niobia: First-Principle Calculations
Pinto MB, Soares AL, Orellana AM, Duarte HA, De Abreu HA
Journal of Physical Chemistry A, 121(12), 2399, 2017
4 First-Principles Calculations and Electron Density Topological Analysis of Covellite (CuS)
Morales-Garcia A, Soares AL, Dos Santos EC, de Abreu HA, Duarte HA
Journal of Physical Chemistry A, 118(31), 5823, 2014
5 Solid-State Experimental and Theoretical Investigation of the Ammonium Salt of Croconate Violet, a Pseudo-Oxocarbon Ion
De Abreu HA, Junior ALS, Leitao AA, De Sa LRV, Ribeiro MCC, Diniz R, de Oliveira LFC
Journal of Physical Chemistry A, 113(23), 6446, 2009
6 Density-functional theory study of iron(III) hydrolysis in aqueous solution
De Abreu HA, Guimaraes L, Duarte HA
Journal of Physical Chemistry A, 110(24), 7713, 2006
7 pK(a) calculation of poliprotic acid: histamine
De Abreu HA, De Almeida WB, Duarte HA
Chemical Physics Letters, 383(1-2), 47, 2004