검색결과 : 11건
| No. | Article |
|---|---|
| 1 |
Hydrogen-Hydrogen Bonds in Highly Branched Alkanes and in Alkane Complexes: A DFT, ab initio, QTAIM, and ELF Study Monteiro NKV, Firme CL Journal of Physical Chemistry A, 118(9), 1730, 2014 |
| 2 |
Theoretical Study of Photochemical Hydrogen Abstraction by Triplet Aliphatic Carbonyls by Using Density Functional Theory Firme CL, Garden SJ, de Lucas NC, Nicodem DE, Correa RJ Journal of Physical Chemistry A, 117(2), 439, 2013 |
| 3 |
Topological study of bis(cyclopentadienyl) titanium and bent titanocenes Firme CL, Pontes DD, Antunes OAC Chemical Physics Letters, 499(4-6), 193, 2010 |
| 4 |
Relation between bond order and delocalization index of QTAIM Firme CL, Antunes OAC, Esteves PM Chemical Physics Letters, 468(4-6), 129, 2009 |
| 5 |
Derivatives of Spiropentadiene Dication: New Species with Planar Tetracoordinate Carbon (ptC) atom Firme CL, Antunes OAC, Esteves PM, Correa RJ Journal of Physical Chemistry A, 113(13), 3171, 2009 |
| 6 |
Understanding the planar tetracoordinate carbon atom: Spiropentadiene dication Firme CL, Barreiro NBP, Esteves PM, Correa RJ Journal of Physical Chemistry A, 112(4), 686, 2008 |
| 7 |
Electronic nature of carbonium ions and their silicon analogues Firme CL, Antunes OAC, Esteves PM Journal of Physical Chemistry A, 112(14), 3165, 2008 |
| 8 |
Laser flash photolysis of 1,2-diketopyracene and a theoretical study of the phenolic hydrogen abstraction by the triplet state of cyclic alpha-diketones de Lucas NC, Correa RJ, Albuquerque ACC, Firme CL, Garden SJ, Bertoti AR, Netto-Ferreira JC Journal of Physical Chemistry A, 111(6), 1117, 2007 |
| 9 |
Electronic nature of planar cyclobutenyl dication derivatives Firme CL, Antunes OAC, Esteves PM Journal of Physical Chemistry A, 111(46), 11904, 2007 |
| 10 |
Ethylene and propylene polymerization with bis(indenyl)zirconium/mao catalytic systems modified by sterically demanding alcohols Firme CL, Grafov AV, Dias ML Journal of Polymer Science Part A: Polymer Chemistry, 43(18), 4248, 2005 |