화학공학소재연구정보센터
검색결과 : 13건
No. Article
1 Understanding Rhodopsin Mutations Linked to the Retinitis pigmentosa Disease: a QM/MM and DFT/MRCI Study
Hernandez-Rodriguez EW, Sanchez-Garcia E, Crespo-Otero R, Montero-Alejo AL, Montero LA, Thiel W
Journal of Physical Chemistry B, 116(3), 1060, 2012
2 Coulomb and Exchange contributions to electronic excitations of benzene aggregates
Montero-Alejo AL, Fuentes ME, Montero LA, de la Vega JMG
Chemical Physics Letters, 502(4-6), 271, 2011
3 Theoretical Study of Imidazole center dot center dot center dot NO Complexes
Crespo-Otero R, Bravo-Rodriguez K, Suardiaz R, Montero LA, de la Vega JMG
Journal of Physical Chemistry A, 113(52), 14595, 2009
4 Effects of the 3-and 4-methoxy and acetamide substituents and solvent environment on the electronic properties of n-substituted 1,8-naphthalimide derivatives
Coronado JLG, Martin E, Montero LA, Fierro JLG, de la Vega JMG
Journal of Physical Chemistry A, 111(39), 9724, 2007
5 Computational study of noncovalent complexes between formamide and formic acid
Sanchez-Garcia E, Montero LA, Sander W
Journal of Physical Chemistry A, 110(46), 12613, 2006
6 Furan-formic acid dimers: An ab initio and matrix isolation study
Sanchez-Garcia E, Mardyukov A, Studentkowski M, Montero LA, Sander W
Journal of Physical Chemistry A, 110(51), 13775, 2006
7 1 : 2 formic acid/acetylene complexes: Ab initio and matrix isolation studies of weakly interacting systems
Sanchez-Garcia E, George L, Montero LA, Sander W
Journal of Physical Chemistry A, 108(52), 11846, 2004
8 Total and local quadratic indices of the "molecular pseudograph's atom adjacency matrix". Application to prediction of Caco-2 permeability of drugs
Ponce YM, Perez MAC, Zaldivar VR, Ofori E, Montero LA
International Journal of Molecular Sciences, 4(8-9), 512, 2003
9 UV-Vis spectrum of simple hydrocarbons in a zeolite cavity. A supramolecular charge transfer
Montero LA, Diaz LA, Castillo N
Chemical Physics Letters, 364(1-2), 176, 2002
10 A theoretical approach to analytical properties of 2,4-diamino-5-phenylthiazole in water solution. Tautomerism and dependence on pH
Montero LA, Esteva AM, Molina J, Zapardiel A, Hernandez L, Marquez H, Acosta A
Journal of the American Chemical Society, 120(46), 12023, 1998