Gerd B. Rocha - Concepedia

Author

Gerd B. Rocha

Also Known As

G. B. da Rocha, G.B Rocha, G.B da Rocha, G.B. Da Rocha, G.B. Rocha, G.B. da Rocha, Geanderson Rocha, Gemina Brito Ferreira Da Rocha, Gemina Brito Ferreira da Rocha, Gerd B Rocha

108

Publications

3.1K

Citations

H-Index

Concepts

All Affiliations

Universidade Federal da Paraíba Universidade Federal de Pernambuco Universidade Federal de Sergipe

About

Gerd B. Rocha is an author at Universidade Federal da Paraíba specializing in natural sciences, chemistry, and engineering.

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	23	36	1.8K
2	Natural Sciences	23	32	1.7K
3	Applied Physics	9	9	336
4	Biochemistry	4	4	92
5	Medicine	2	2	38

Gerd B. Rocha

Publications

Citations

H-Index

Page 1

	Year	Citations
RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I Gerd B. Rocha, Ricardo O. Freire, Alfredo M. Simas, Journal of Computational Chemistry	2006	673
GPU Linear Algebra Libraries and GPGPU Programming for Accelerating MOPAC Semiempirical Quantum Chemistry Calculations Julio D. C. Maia, Gabriel A. Urquiza‐Carvalho, Carlos Peixoto Mangueira, Journal of Chemical Theory and Computation EngineeringComputer ArchitectureGpgpu ProgrammingComputational ChemistryChemistry	2012	248
NAMD goes quantum: an integrative suite for hybrid simulations Marcelo C. R. Melo, Rafael C. Bernardi, Till Rudack, Nature Methods Quantum ScienceIntegrative SuiteQuantum ComputingPhysicsEngineering	2018	234
Repurposing approved drugs as inhibitors of SARS-CoV-2 S-protein from molecular modeling and virtual screening Osmair Vital de Oliveira, Gerd B. Rocha, Andrew S. Paluch, Journal of Biomolecular Structure and Dynamics	2020	145
Sparkle Model for the Calculation of Lanthanide Complexes: AM1 Parameters for Eu(III), Gd(III), and Tb(III) Ricardo O. Freire, Gerd B. Rocha, Alfredo M. Simas Inorganic Chemistry EngineeringTheoretical Inorganic ChemistryComputational ChemistryChemistryInorganic Compound	2005	135
Sparkle/PM7 Lanthanide Parameters for the Modeling of Complexes and Materials José Diogo L. Dutra, Manoel A. M. Filho, Gerd B. Rocha, Journal of Chemical Theory and Computation Crystal StructureEngineeringPm7 Semiempirical ModelMaterial SimulationComputational Chemistry	2013	132
Emission quantum yield of europium (III) mixed complexes with thenoyltrifluoroacetonate and some aromatic ligands F.R.G. e Silva, Jorge Fernando Silva de Menezes, Gerd B. Rocha, Journal of Alloys and Compounds Chemical EngineeringEngineeringNatural SciencesCoordination ComplexAromatic Ligands	2000	78
Sparkle Model for AM1 Calculation of Lanthanide Complexes: Improved Parameters for Europium Gerd B. Rocha, Ricardo O. Freire, Nivan B. da Costa, Inorganic Chemistry EngineeringSmlc ModelNew ParametrizationComputational ChemistryChemistry	2004	75
Sparkle/RM1 parameters for the semiempirical quantum chemical calculation of lanthanide complexes Manoel A. M. Filho, José Diogo L. Dutra, Gerd B. Rocha, RSC Advances Crystal StructureEngineeringComputational ChemistryChemistrySpectra-structure Correlation	2013	73
Sparkle/PM3 for the modeling of europium(III), gadolinium(III), and terbium(III) complexes Ricardo O. Freire, Gerd B. Rocha, Alfredo M. Simas Journal of the Brazilian Chemical Society Materials ScienceInorganic ChemistryCrystal StructureCentral EuEngineering	2009	64

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