Gerd B. Rocha

3.1k total citations · 1 hit paper
84 papers, 2.6k citations indexed

About

Gerd B. Rocha is a scholar working on Materials Chemistry, Inorganic Chemistry and Organic Chemistry. According to data from OpenAlex, Gerd B. Rocha has authored 84 papers receiving a total of 2.6k indexed citations (citations by other indexed papers that have themselves been cited), including 44 papers in Materials Chemistry, 29 papers in Inorganic Chemistry and 24 papers in Organic Chemistry. Recurrent topics in Gerd B. Rocha's work include Lanthanide and Transition Metal Complexes (36 papers), Radioactive element chemistry and processing (26 papers) and Magnetism in coordination complexes (12 papers). Gerd B. Rocha is often cited by papers focused on Lanthanide and Transition Metal Complexes (36 papers), Radioactive element chemistry and processing (26 papers) and Magnetism in coordination complexes (12 papers). Gerd B. Rocha collaborates with scholars based in Brazil, United States and France. Gerd B. Rocha's co-authors include Alfredo M. Simas, Ricardo O. Freire, James J. P. Stewart, Gabriel A. Urquiza‐Carvalho, Nivan B. da Costa, José Diogo L. Dutra, Luciano T. Costa, Osmair Vital de Oliveira, Andrew S. Paluch and Oscar L. Malta and has published in prestigious journals such as The Journal of Chemical Physics, PLoS ONE and Nature Methods.

In The Last Decade

Gerd B. Rocha

79 papers receiving 2.5k citations

Hit Papers

align trajectories

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I

2006 589 citations Gerd B. Rocha, Ricardo O. Freire et al. Journal of Computational Chemistry profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name	h						Papers	Cites
Gerd B. Rocha Brazil	24	1.3k	716	634	584	418	84	2.6k
D.J. Price United Kingdom	30	1.2k 0.9×	1.2k 1.7×	1.3k 2.1×	551 0.9×	1.3k 3.1×	84	4.0k
Thomas F. Hughes United States	16	653 0.5×	271 0.4×	221 0.3×	721 1.2×	514 1.2×	35	2.4k
Μάνθος Γ. Παπαδόπουλος Greece	34	912 0.7×	243 0.3×	1.2k 1.9×	943 1.6×	588 1.4×	136	3.3k
Arteum D. Bochevarov United States	15	548 0.4×	279 0.4×	201 0.3×	840 1.4×	578 1.4×	25	2.3k
Ricardo O. Freire Brazil	35	3.4k 2.6×	1.9k 2.6×	1.7k 2.6×	695 1.2×	262 0.6×	124	4.5k
Dale A. Braden United States	16	471 0.4×	268 0.4×	197 0.3×	713 1.2×	454 1.1×	28	2.0k
Michał H. Jamróz Poland	26	631 0.5×	261 0.4×	917 1.4×	1.1k 1.9×	1.2k 3.0×	75	3.5k
Gijs Schaftenaar Netherlands	16	744 0.6×	557 0.8×	295 0.5×	1.1k 1.9×	707 1.7×	23	3.9k
Dean M. Philipp United States	12	698 0.5×	409 0.6×	247 0.4×	1.2k 2.1×	1.6k 3.7×	14	3.9k
Yunxiang Lu China	32	1.2k 0.9×	1.1k 1.6×	314 0.5×	1.1k 2.0×	600 1.4×	128	4.1k

Countries citing papers authored by Gerd B. Rocha

Since Specialization

Citations

This map shows the geographic impact of Gerd B. Rocha's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Gerd B. Rocha with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Gerd B. Rocha more than expected).

Fields of papers citing papers by Gerd B. Rocha

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Gerd B. Rocha. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Gerd B. Rocha. The network helps show where Gerd B. Rocha may publish in the future.

Co-authorship network of co-authors of Gerd B. Rocha

This figure shows the co-authorship network connecting the top 25 collaborators of Gerd B. Rocha. A scholar is included among the top collaborators of Gerd B. Rocha based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Gerd B. Rocha. Gerd B. Rocha is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

Sort: Min cites: Since: Top N: Style:

20 of 20 papers shown

Barbosa, Euzébio Guimarães, et al.. (2025). In silico target identification and pharmacokinetic profiling of 2-aryl-quinoline-4-carboxylic acid derivatives as potential antileishmanial agents. Frontiers in Pharmacology. 16. 1621059–1621059.

Castro, Maria Carolina Accioly Brelaz de, et al.. (2024). 1,2,4-Oxadiazole Derivatives: Physicochemical Properties, Antileishmanial Potential, Docking and Molecular Dynamic Simulations of Leishmania infantum Target Proteins. Molecules. 29(19). 4654–4654. 3 indexed citations

Marques, Rosemarie Brandim, et al.. (2024). Evaluation of DFT methods for predicting geometries and NMR spectra of Bi(III) dithiocarbamate complexes with antitumor properties. Journal of Molecular Modeling. 30(6). 177–177.

Urquiza‐Carvalho, Gabriel A., et al.. (2024). Exploring the electronic structure of knotted proteins: the case of two ornithine transcarbamylase family. Journal of Molecular Modeling. 30(8). 265–265.

Silva, Tânia Maria Sarmento, et al.. (2023). Antiviral Activity of Flavonoids from Geopropolis of the Brazilian Jandaira Bee against Zika and Dengue Viruses. Pharmaceutics. 15(10). 2494–2494. 4 indexed citations

Rocha, Gerd B., et al.. (2023). Impact of alkyl chains, electron donor substituents and acidic group on aggregation-induced emission of carboxylic acid functionalized quinoxalines. Journal of Molecular Structure. 1300. 137275–137275. 2 indexed citations

Mariano, Diego, Eduardo Mazoni Andrade Marçal Mendes, Karina Machado, et al.. (2022). E-Volve: understanding the impact of mutations in SARS-CoV-2 variants spike protein on antibodies and ACE2 affinity through patterns of chemical interactions at protein interfaces. PeerJ. 10. e13099–e13099. 3 indexed citations

Rocha, Gerd B., et al.. (2020). GPU algorithms for density matrix methods on MOPAC: linear scaling electronic structure calculations for large molecular systems. Journal of Molecular Modeling. 26(11). 313–313. 5 indexed citations

Timmers, Luís Fernando Saraiva Macedo, et al.. (2020). Theoretical characterization of the shikimate 5-dehydrogenase reaction from Mycobacterium tuberculosis by hybrid QC/MM simulations and quantum chemical descriptors. Journal of Molecular Modeling. 26(11). 297–297. 7 indexed citations

10.

Rocha, Gerd B., et al.. (2019). Biotechnological potential of an exo‐polygalacturonase of the new strain Penicillium janthinellum VI2R3M: biochemical characterization and clarification of fruit juices. Journal of Applied Microbiology. 127(6). 1706–1715. 17 indexed citations

11.

Melo, Marcelo C. R., Rafael C. Bernardi, Till Rudack, et al.. (2018). NAMD goes quantum: an integrative suite for hybrid simulations. Nature Methods. 15(5). 351–354. 159 indexed citations

12.

Rocha, Gerd B., et al.. (2017). Spin states of Mn(III) meso-tetraphenylporphyrin chloride assessed by density functional methods. Journal of Molecular Modeling. 23(12). 363–363. 2 indexed citations

13.

Dutra, José Diogo L., et al.. (2016). Parameters for the RM1 Quantum Chemical Calculation of Complexes of the Trications of Thulium, Ytterbium and Lutetium. PLoS ONE. 11(5). e0154500–e0154500. 2 indexed citations

14.

Dutra, José Diogo L., et al.. (2014). Semiempirical Quantum Chemistry Model for the Lanthanides: RM1 (Recife Model 1) Parameters for Dysprosium, Holmium and Erbium. PLoS ONE. 9(1). e86376–e86376. 12 indexed citations

15.

Borges, Andrezza Raposo, Cláudio Gabriel Lima-Júnior, Gabriel A. Urquiza‐Carvalho, et al.. (2010). 3-Hydroxy-2-methylene-3-(4-nitrophenylpropanenitrile): A new highly active compound against epimastigote and trypomastigote form of Trypanosoma cruzi. Bioorganic Chemistry. 38(5). 190–195. 22 indexed citations

16.

Freire, Ricardo O., Gerd B. Rocha, & Alfredo M. Simas. (2006). Lanthanide complex coordination polyhedron geometry prediction accuracies of ab initio effective core potential calculations. Journal of Molecular Modeling. 12(4). 373–389. 54 indexed citations

17.

Rocha, Gerd B., Ricardo O. Freire, Alfredo M. Simas, & James J. P. Stewart. (2006). RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I. Journal of Computational Chemistry. 27(10). 1101–1111. 589 indexed citations breakdown →

18.

Freire, Ricardo O., et al.. (2005). Sparkle model for AM1 calculation of neodymium(III) coordination compounds. Journal of Photochemistry and Photobiology A Chemistry. 177(2-3). 225–237. 22 indexed citations

19.

Freire, Ricardo O., Gerd B. Rocha, & Alfredo M. Simas. (2005). Modeling lanthanide complexes: Sparkle/AM1 parameters for ytterbium (III). Journal of Computational Chemistry. 26(14). 1524–1528. 16 indexed citations

20.

Rakov, Nikifor, et al.. (2001). Reverse saturable absorption and anti-Stokes fluorescence in mesoionic compounds pumped at 532 nm. Applied Optics. 40(9). 1389–1389. 11 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

Explore authors with similar magnitude of impact