Year |
Citation |
Score |
2020 |
Caramori GF, Østrøm I, Ortolan AO, Nagurniak GR, Besen VM, Muñoz-Castro A, Orenha RP, Parreira RLT, Galembeck SE. The usefulness of energy decomposition schemes to rationalize host-guest interactions. Dalton Transactions (Cambridge, England : 2003). PMID 33216076 DOI: 10.1039/d0dt03518a |
0.684 |
|
2019 |
Orenha RP, Caramori GF, Misturini A, Galembeck SE. Shedding light on the electronic structure of [Ru(η-CH)(NH)] complex: a computational insight. Journal of Molecular Modeling. 25: 11. PMID 30607601 DOI: 10.1007/S00894-018-3882-6 |
0.749 |
|
2019 |
Orenha RP, Galembeck SE. How does the pH influences the Ru‐NO coordination compounds? International Journal of Quantum Chemistry. 119. DOI: 10.1002/QUA.25999 |
0.608 |
|
2018 |
Pereira Orenha R, Tfouni E, Galembeck SE. How does the total charge and isomerism influence the Ru-NO ammine complexes? Physical Chemistry Chemical Physics : Pccp. 20: 13348-13356. PMID 29717751 DOI: 10.1039/C8Cp00865E |
0.344 |
|
2018 |
Orenha RP, Vessecchi R, Galembeck SE. The influence of the negative hyperconjugation is relevant for the analysis of the π-π* conjugation with the mono-substitution and di-substitution of H2C= by O= and/or HN= in trans-buta-1,3-diene? Structural Chemistry. 29: 847-857. DOI: 10.1007/s11224-017-1070-4 |
0.636 |
|
2017 |
Orenha RP, Rocha MVJ, Poater J, Galembeck SE, Bickelhaupt FM. Nature of the Ru-NO Coordination Bond: Kohn-Sham Molecular Orbital and Energy Decomposition Analysis. Chemistryopen. 6: 410-416. PMID 28638774 DOI: 10.1002/Open.201700028 |
0.731 |
|
2017 |
Orenha RP, Santiago RT, Haiduke RL, Galembeck SE. How computational methods and relativistic effects influence the study of chemical reactions involving Ru-NO complexes? Journal of Computational Chemistry. PMID 28211066 DOI: 10.1002/jcc.24762 |
0.653 |
|
2017 |
Galembeck SE, Caramori GF, Misturini A, Garcia LC, Orenha RP. Metal–Ligand Bonding Situation in Ruthenophanes Containing Multibridged Cyclophanes Organometallics. 36: 3465-3470. DOI: 10.1021/Acs.Organomet.7B00393 |
0.72 |
|
2016 |
Orenha RP, San Gregorio LR, Galembeck SE. Computational study of the interaction between NO, NO, and NO with HO. Journal of Molecular Modeling. 22: 276. PMID 27783233 DOI: 10.1007/s00894-016-3148-0 |
0.72 |
|
2014 |
Galembeck SE, Bickelhaupt FM, Fonseca Guerra C, Galembeck E. Effects of the protonation state in the interaction of an HIV-1 reverse transcriptase (RT) amino acid, Lys101, and a non nucleoside RT inhibitor, GW420867X. Journal of Molecular Modeling. 20: 2332. PMID 24965933 DOI: 10.1007/S00894-014-2332-3 |
0.532 |
|
2014 |
Orenha RP, Vessecchi R, Galembeck SE. The resonance of cation and anion radicals with multiple conjugated bonds Structural Chemistry. 26: 365-373. DOI: 10.1007/s11224-014-0490-7 |
0.661 |
|
2012 |
Orenha RP, Galembeck SE, Parreira RLT. Resonance in compounds with multiple conjugated bonds Structural Chemistry. 24: 1153-1162. DOI: 10.1007/s11224-012-0138-4 |
0.663 |
|
2011 |
Parreira RLT, Caramori GF, Morgon NH, Galembeck SE. Hydrogen bond and the resonance effect on the formamide-water complexes International Journal of Quantum Chemistry. 112: 1401-1420. DOI: 10.1002/Qua.23124 |
0.623 |
|
2008 |
Parreira RL, Caramori GF, Galembeck SE, Huguenin F. The nature of the interactions between Pt4 cluster and the adsorbates *H, *OH, and H2O. The Journal of Physical Chemistry. A. 112: 11731-43. PMID 18942818 DOI: 10.1021/Jp8033177 |
0.57 |
|
2008 |
Caramori GF, Galembeck SE. A computational study of tetrafluoro-[2.2]cyclophanes. The Journal of Physical Chemistry. A. 112: 11784-800. PMID 18942810 DOI: 10.1021/Jp805125R |
0.612 |
|
2007 |
Caramori GF, Galembeck SE. Computational study about through-bond and through-space interactions in [2.2]cyclophanes. The Journal of Physical Chemistry. A. 111: 1705-12. PMID 17295458 DOI: 10.1021/Jp066863H |
0.64 |
|
2007 |
Caramori GF, de Oliveira KT, Galembeck SE, Bultinck P, Constantino MG. Aromaticity and Homoaromaticity in Methano[10]annulenes. The Journal of Organic Chemistry. 72: 76-85. PMID 17194084 DOI: 10.1021/Jo061702V |
0.637 |
|
2007 |
Caramori GF, De Oliveira KT, Galembeck SE, Bultinck P, Constantino MG. Aromaticity and homoaromaticity in methano[10]annulenes Journal of Organic Chemistry. 72: 76-85. DOI: 10.1021/jo061702v |
0.586 |
|
2006 |
Rustici VCF, Caramori GF, Galembeck SE. Efeitos de substituintes na ligação de hidrogênio do 3-hidroxipropenal QuíMica Nova. 29: 1187-1192. DOI: 10.1590/S0100-40422006000600008 |
0.616 |
|
2005 |
Caramori GF, Galembeck SE, Laali KK. A computational study of [2.2]cyclophanes. The Journal of Organic Chemistry. 70: 3242-50. PMID 15822987 DOI: 10.1021/Jo047864D |
0.631 |
|
2003 |
Parreira RL, Galembeck SE. Characterization of hydrogen bonds in the interactions between the hydroperoxyl radical and organic acids. Journal of the American Chemical Society. 125: 15614-22. PMID 14664609 DOI: 10.1021/ja036846v |
0.366 |
|
2003 |
Galembeck SE, Caramori GF. Qual o sítio de reação? Um experimento computacional QuíMica Nova. 26: 957-959. DOI: 10.1590/S0100-40422003000600031 |
0.565 |
|
1996 |
Pereira GK, Donate PM, Galembeck SE. Electronic structure of hydroxylated derivatives of the flavylium cation Journal of Molecular Structure: Theochem. 363: 87-96. DOI: 10.1016/0166-1280(95)04423-X |
0.326 |
|
1993 |
Cheung KK, Echevarria A, Galembeck S, Maciel MAM, Miller J, Rumjanek VM, Simas AM. Mesoionic compounds. 4. Structure of 1,4,5-triphenyl-1,2,4-triazolium-3-thiolate Acta Crystallographica Section C Crystal Structure Communications. 49: 1092-1094. DOI: 10.1107/S0108270192012642 |
0.323 |
|
1983 |
Riveros J, Galembeck S. Ion-molecule reactions of halopropenes International Journal of Mass Spectrometry and Ion Physics. 47: 183-186. DOI: 10.1016/0020-7381(83)87166-6 |
0.521 |
|
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