화학공학소재연구정보센터
검색결과 : 13건
No. Article
1 Synthesis of Novel Dinuclear N-Substituted 4-(Dimethylamino)benzaldehyde Thiosemicarbazonates of Rhenium(I): Formation of Four- and/or Five-Membered Chelate Rings, Conformational Analysis, and Reactivity
Argibay-Otero S, Grana AM, Carballo R, Vazquez-Lopez EM
Inorganic Chemistry, 59(19), 14101, 2020
2 Electron Density Analysis on the Protonation of Nitriles
Lopez JL, Grana AM, Mosquera RA
Journal of Physical Chemistry A, 113(11), 2652, 2009
3 QTAIM interpretation of the basicity of substituted anilines
Grana AM, Hermida-Ramon JM, Mosquera RA
Chemical Physics Letters, 412(1-3), 106, 2005
4 AIM interpretation of the acidity of phenol derivatives
Mandado M, Mosquera RA, Grana AM
Chemical Physics Letters, 386(4-6), 454, 2004
5 AIM charge density study of simple natural phenolic antioxidants
Mandado M, Grana AM, Mosquera RA
Chemical Physics Letters, 400(1-3), 169, 2004
6 Theoretical study of the electronic structure of CnS (n=1-6) thiocumulenes
Perez-Juste I, Grana AM, Carballeira L, Mosquera RA
Journal of Chemical Physics, 121(21), 10447, 2004
7 Transferability of energies of atoms in organic molecules
Mandado M, Vila A, Grana AM, Mosquera RA, Cioslowski J
Chemical Physics Letters, 371(5-6), 739, 2003
8 On the structures of the methanol trimer and their cooperative effects
Mandado M, Grana AM, Mosquera RA
Chemical Physics Letters, 381(1-2), 22, 2003
9 On the effects of electron correlation and conformational changes on the distortion of the charge distribution in alkyl chains
Mandado M, Mosquera RA, Grana AM
Chemical Physics Letters, 355(5-6), 529, 2002
10 Transferability in aldehydes and ketones. II. Alkyl chains
Grana AM, Mosquera RA
Journal of Chemical Physics, 113(4), 1492, 2000