화학공학소재연구정보센터
검색결과 : 18건
No. Article
1 Hydration study of MgSO4 using different theoretical and model approaches. is there a proton transfer?
Fernandez M, Klapp J, Sigalotti LD, Ruette F
Chemical Physics Letters, 713, 39, 2018
2 Hydrogen atom chemisorption and diffusion on neutral and charged polycyclic aromatic hydrocarbon (PAH) flakes in the interstellar media
Sanchez M, Ruette F
Chemical Physics Letters, 640, 11, 2015
3 Relationship between unbranched alkane dimer interaction energies using different theoretical methods and correlations with thermodynamic properties
Rojas L, Ruette F, Peraza A, Castellano O, Soscun H
Chemical Physics Letters, 625, 20, 2015
4 Aging Oxidation Reactions on Atmospheric Black Carbon by OH Radicals. A Theoretical Modeling Study
Rojas L, Peraza A, Ruette F
Journal of Physical Chemistry A, 119(52), 13038, 2015
5 Interstellar catalysis: Formation of small molecules on a graphitic flake
Rodriguez LS, Ruette F, Sanchez M, Mendoza C
Journal of Molecular Catalysis A-Chemical, 316(1-2), 16, 2010
6 Modeling extra framework aluminum (EFAL) formation in the zeolite ZSM-5 using parametric quantum and DFT methods
Lisboa O, Sanchez M, Ruette F
Journal of Molecular Catalysis A-Chemical, 294(1-2), 93, 2008
7 An ab initio and DFT study of the interaction between ethanethiol and zeolites
Soscun H, Castellano O, Hernandez J, Arrieta F, Bermudez Y, Hinchliffe A, Brussin MR, Sanchez M, Sierraalta A, Ruette F
Journal of Molecular Catalysis A-Chemical, 278(1-2), 165, 2007
8 Theoretical modeling of molecular interactions of iron with asphaltenes from heavy crude oil
Rosales S, Machin I, Sanchez M, Rivas G, Ruette F
Journal of Molecular Catalysis A-Chemical, 246(1-2), 146, 2006
9 Theoretical study of dimeric dioxo-mu-oxo and oxo-bis (mu-oxo) of molybdenum complexes used in catalytic oxidations reactions
Griffe B, Agrifoglio G, Brito JL, Ruette F
Catalysis Today, 107-08, 388, 2005
10 Theoretical study of catalytic steam cracking on a asphaltene model molecule
Machin I, de Jesus JC, Rivas G, Higuerey I, Cordova J, Pereira P, Ruette F, Sierraalta A
Journal of Molecular Catalysis A-Chemical, 227(1-2), 223, 2005