화학공학소재연구정보센터
검색결과 : 12건
No. Article
1 Electron-Pair Distribution in Chemical Bond Formation
Rodriguez-Mayorga M, Via-Nadal M, Sola M, Ugalde JM, Lopez X, Matito E
Journal of Physical Chemistry A, 122(7), 1916, 2018
2 New Link between Conceptual Density Functional Theory and Electron Delocalization
Matito E, Putz MV
Journal of Physical Chemistry A, 115(45), 12459, 2011
3 Ab Initio Design of Chelating Ligands Relevant to Alzheimer's Disease: Influence of Metalloaromaticity
Rimola A, Ali-Torres J, Rodriguez-Rodriguez C, Poater J, Matito E, Sola M, Sodupe M
Journal of Physical Chemistry A, 115(45), 12659, 2011
4 Understanding Conjugation and Hyperconjugation from Electronic Delocalization Measures
Feixas F, Matito E, Poater J, Sola M
Journal of Physical Chemistry A, 115(45), 13104, 2011
5 Comment to'A new population analysis: Dipole-moment-conserving charge-set' by H. Sato, S. Skaki [Chem. phys. lett. 434 (2007) 165]
Matito E
Chemical Physics Letters, 451(1-3), 169, 2008
6 Analysis of Huckel's [4n+2] Rule through Electronic Delocalization Measures
Feixas F, Matito E, Sola M, Poater J
Journal of Physical Chemistry A, 112(50), 13231, 2008
7 Aromaticity of distorted benzene rings: Exploring the validity of different indicators of aromaticity
Feixas F, Matito E, Poater J, Sola M
Journal of Physical Chemistry A, 111(20), 4513, 2007
8 Properties of aromaticity indices based on the one-electron density matrix
Cioslowski J, Matito E, Sola M
Journal of Physical Chemistry A, 111(28), 6521, 2007
9 Aromaticity measures from fuzzy-atom bond orders (FBO). The aromatic fluctuation (FLU) and the para-delocalization (PDI) indexes
Matito E, Salvador P, Duran M, Sola M
Journal of Physical Chemistry A, 110(15), 5108, 2006
10 Analysis of electron delocalization in aromatic systems: Individual molecular orbital contributions to para-delocalization indexes (PDI)
Guell M, Matito E, Luis JM, Poater J, Sola M
Journal of Physical Chemistry A, 110(40), 11569, 2006