Alfredo Mayall Simas

Alfredo Mayall Simas

Universidade Federal de Pernambuco - Quito / Brazil
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 943671
Federal University of Pernambuco
person_outline Alfredo Mayall Simas's MOST POPULAR ARTICLES
1-) Spectroscopic properties and design of highly luminescent lanthanide coordination complexesGF De Sa, OL Malta, C de Mello Donegá, AM Simas, RL Longo, ...Coordination Chemistry Reviews 196 (1), 165-195, 200017132000
2-) Rm1: A reparameterization of am1 for h, c, n, o, p, s, f, cl, br, and iGB Rocha, RO Freire, AM Simas, JJP StewartJournal of computational chemistry 27 (10), 1101-1111, 20068722006
3-) Sparkle model for the calculation of lanthanide complexes: AM1 parameters for Eu (III), Gd (III), and Tb (III)RO Freire, GB Rocha, AM SimasInorganic Chemistry 44 (9), 3299-3310, 20051852005
4-) The Laplacian of the charge density and its relationship to the shell structure of atoms and ionsRP Sagar, ACT Ku, VH Smith, AM SimasThe Journal of chemical physics 88 (7), 4367-4374, 19881851988
5-) Sparkle model for the quantum chemical AM1 calculation of europium complexesAVM de Andrade, NB da Costa Jr, AM Simas, GF de SáChemical physics letters 227 (3), 349-353, 19941701994