O. Santana

发表

Green's function calculation of through-bond electronic coupling in donor–bridge–acceptor model systems II: Importance factors applied to atomic sites

A. D. Gama, O. Santana, 2005 .

Theoretical calculations of the substituent effect on molecular properties of the RCN⋯HF hydrogen-bonded complexes with R = NH2, CH3O, CH3, OH, SH, H, Cl, F, CF3, CN and NO2

E. Ventura, R. C. A. Araújo, A. B. Carvalho, 2009 .

Electronic properties of the low‐lying spin states of dimethylnitrosamine coordinated to Fe(III) heme models: An ab initio study

E. F. Leitão, E. Ventura, O. Santana, 2014 .

Diradicalar Character and Ring Stability of Mesoionic Heterocyclic Oxazoles and Thiazoles by Ab Initio Mono and Multi-Reference Methods.

O. Santana, A. J. S. Filho, L. Dantas, 2020 .

A multireference configuration interaction study with singles and doubles of some mesoionic rings: reaction and activation free energies for the ring‐opening reaction

O. Santana, S. A. Monte, E. V. D. Monte, 2020 .

Mesoionic Heterocyclics : Theoretical Study of the Structural Stability of Oxazoles ( C 3 H 3 NOR ) and Thiazole ( C 3 H 3 NSR ) , with R = O and S

E. Ventura, O. Santana, S. A. Monte, 2017 .

Theoretical study of cooperative effects in the homo‐ and heteromeric hydrogen bond chains (HCN)nHF with n = 1, 2, and 3

E. Ventura, R. C. A. Araújo, B. G. Oliveira, 2006 .

Green's function calculation of through-bond electronic coupling in donor–bridge–acceptor model systems

A. D. Gama, O. Santana, 1999 .