Gerd B. Rocha
Universidade Federal da Paraíba(BR)Paul Quinn College(US)Centro Universitário de Várzea Grande(BR)
Publications by Year
Research Areas
Lanthanide and Transition Metal Complexes, Radioactive element chemistry and processing, Magnetism in coordination complexes, Computational Drug Discovery Methods, Nonlinear Optical Materials Research
Most-Cited Works
- → RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I(2006)673 cited
- → GPU Linear Algebra Libraries and GPGPU Programming for Accelerating MOPAC Semiempirical Quantum Chemistry Calculations(2012)248 cited
- → NAMD goes quantum: an integrative suite for hybrid simulations(2018)234 cited
- → Repurposing approved drugs as inhibitors of SARS-CoV-2 S-protein from molecular modeling and virtual screening(2020)145 cited
- → Sparkle Model for the Calculation of Lanthanide Complexes: AM1 Parameters for Eu(III), Gd(III), and Tb(III)(2005)135 cited
- → Sparkle/PM7 Lanthanide Parameters for the Modeling of Complexes and Materials(2013)132 cited