 |
<GE|EM>
- Grupo de Estrutura Eletrônica Molecular Molecular Electronic Structure Group |
Publications
2015 - 2020
57. Lima, T. C.; Lucarini, R.; Volpe, A. C.; De Andrade, C. Q.; Souza, A. M.; Pauletti, P. M.; Januario, A. H.; Simaro, G. V.; Bastos, J. K.; Cunha, W. R.; Borges, A.; Laurentiz, R. S.; Conforti. V. A.; Parreira, R. L. T.; Borges, C. H.; Caramori, G. F.; Andriani, K. F. "In vivo and in silico anti-inflammatory mechanism of action of the semisynthetic (-)-cubebin derivatives (-)-honokinin and (-)-O-benzylcubebin" Bioorg. Med. Chem. Lett., 2017, 27, 176-179 (DOI:10.1016/j.bmcl.2016.11.081).
56. Ortolan, A. O.; Caramori, G. F.; Garcia, L. C.; Parreira, R. L. T.; Bento, M, V. B. "Metal-Ligand Bonding situation in Ruthenophanes containing i,j-xylylene-linked-bis(NHC)cyclophane Ligands" J. Organomet. Chem., 2017, 830, 100-108 (DOI:10.1016/j.organchem.2016.12.005).
55. Kar, T.; Adhikari, U.; Scheiner, S.; Roy, A. K.; Parreira, R. L. T.; Bergamo, P. A. S.; Caramori, G. F.; Schneider, F.S. S. "Solvation Enhances the Distinction between Carboxylated Armchair and Zigzag Single-wall Carbon Nanotubes (SWNT-COOH)" J. Phys. chem. C, 2017, 121, 9516-9527 (DOI:10.1021/jpcc.6b10676)
54. Parreira, R. l. T.; Nassar, E. J.; Silva, E. H.; Rocha, L. A.; Bergamo, P. A. S.; Ferreira, C. M. A.; Kar, T.; Fonseca, D. E. P; Coimbra, D. F.; Caramori, G. F. "Electronic Properties and Metal-ligand Bonding Situation in Eu(III) Complexes Containing Tris(pyrazolyl)borate and Phenantroline Ligands" J. Luminescence 2017, 182, 137-145, (DOI:10.1016/j.jlumin.2016.10.023).
53. de Oliveira, L. K.; Alves, A. L. A.; Barbosa, V.; Parreira, R. L. T.; Banegas, R. S.; Caramori, G. F.; Ciuffi, K. J.; Molina, E. F. "Interaction of the Emerging Pollutant Bisphenol A with the Hybrid Matrix Ureasil-PEO800: Experimental study and Molecular Dynamics Simulation" N. J. Chem. 2016, XX, XXX (submitted).
52. Segala, M.; Schneider, F. S. S.; Caramori, G. F.; Parreira, R. L. T. "An Evaluation of Electron Donation as a Mechanism of the Stabilization of Chalcogenated-Protected Nanoclusters" ChemPhysChem 2016, 17, 3102-3111 (DOI:10.1002/cphc.201600552).
51. Nagurniak, G. R.; Caramori, G. F.; Parreira, R. L. T.; Bergamo, P. A. S.; Frenking, G.; Muñoz-Castro, A. "Shedding Light on the Nature of Host-Guest Interactions in PAHs-ExBox4+ Complexes" J. Phys. Chem. C 2016, 120, 15480-15487 (DOI:10.1021/acs.jpcc.6b04844).
50. Borges, C.; Cruz, M.; Carneiro, L.; da Silva, J.; Bastos, J.; Tavares, D.; Roges, H.; Rodrigues, V.; Veneziani, R.; Parreira, R. L. T.; Caramori, G. F.; Nagurniak, G.; Magalhães, L.; Ambrósio, S. R. J. "Copaifera duckei Oleoresin and Its Main non Volatile Terpenes: In vitro Schistosomicidal Properties" J. Chem. Biodiv., 2016, 13, 1348-1356 (DOI:10.1002/cbdv.201600065).
49. Ciancaleoni, G.; Arca, M.; Caramori, G. F.; Frenking, G.; Schneider, F. S. S. ; Lippolis, V. "Bonding Analysis in Homo- and Hetero-Trihalides Species: A Charge Displacement Study" Eur. J. Inorg. Chem. 2016, 2016, 3804-3812 (DOI:10.1002/ejic.201600471)
48. Garcia, L. C.; Caramori, G;. F.; Bergamo, P. A. S.; Parreira, R. L. T. "Transport Properties of Ruthenophanes - A Theoretical Insight" Chem. Phys. 2016, XX, XXX, (DOI:10.1016/j.chemphys.2016.05.030).
47. Westphal, E.; Gallardo, H.; Caramori, G. F.; Sebástian, N.; Tamba, M. G.; Eremin, A.; Kawauchi, S.; Prehm, M.; Tschierske, C. "Polar Order and Symmetry Breaking between Bent-Core and Rodlike Molecular Forms: When 4-Cyanoresorcinol Meets Carbosilane End Group" Chem. A Eur. J. 2016, 22, 1-18, (10.1002/chem.201503901).
46. Pelegrini, M.; Parreira, R. L. T.; Ferrão, L. F. A.; Caramori, G. F.; Ortolan, A. O.; da Silva, E. H.; Roberto-Neto, O.; Rocco, J. A. F. F.; Machado, F. B. C. "Hydrazine Decomposition on a Small Platinum Cluster: The Role of N2H5 Intermediate" Theor. Chem. Acc. 2016, 135, 1-12, (DOI:10.1007/s00214-016-1816-x).
45. Oliveira, R. S.; Boffo, E. F.; Reis, F. C. C.; Nikolau, S.; Andriani, K. F.; Caramori, G. F.; Doro, F. G. "A Ruthenium Polypyridyl Complex with the Antihypertensive Drug Varsatan: Synthesis, Theoretical Calculations, and Interaction Studies with Human Serum Albumin" Polyhedron, 2016, 114, 232-241 (DOI:10.1016/j.poly.2015.12.029).
44. Doro, F. G.; Ferreira, K. Q.; da Rocha, Z. N.; Caramori, G. F.; Gomes, A. J.; Tfouni, E. "The Versatile Ruthenium(II/III) Tetraazamacrocycle complexes and their Nitrosyl Derivatives" Coord. Chem. Rev. 2016, 306, 652-677 (DOI:10.1016/j.ccr.2015.03.021)
43. Ortolan, A. O.; Caramori, G. F.; Frenking, G.; Muñoz-Castro, A. "Role of the Cation Formal Charge into Cation–π interaction. A Survey Involving the [2.2.2]Paracyclophane Host from Relativistic DFT Calculations." New J. Chem. 2015, 39, 9963-9968 (DOI:10.1039/C5NJ02384).
42. Caramori, G. F.; Ortolan, A. O.; Parreira, R. L. T.; da Silva, E. H. "Ruthenium Nitrosyl Complexes Containing Pyridine-functionalized carbenes - A Theoretical Insight" J. Organomet. Chem. 2015, 799-800, 54-60 (DOI:10.1016/j.jorganchem.2015.08.018).
41. Andriani, K. F.; Caramori, G. F.; Muñoz-Castro, A.; Doro, F. G. "The Influence of L Ligands on the {RuNO}6/7 Bonding Situation in cis-[Ru(NO)(NO2)L1-4]q Complexes: A Theoretical Insight" RSC Adv. 2015, 5, 69057-69066 (DOI:10.1039/C5R41088H).
40. Stock, R.; Nandi, L.; Nicoleti, C.; Schramm, A.; Meller, S.; Heying, R.; Coimbra, D. F.; Andriani, K. F.; Caramori, G. F.; Bortoluzzi, A.; Machado, V. G. "Synthesis and Solvatochromism of Substituted 4-(Nitrostyryl)phenolate Dyes" J. Org. Chem. 2015, 80, 7971-7983 (DOI:10.1021/acs.joc.5b00983).
39. Frenking, G.; Caramori, G. F. "No Need for a Re-examinaton of the Electrostatic Notation of the H-Bonding" Angew. Chem. 2015, 127, 2632-2635 (DOI:10.1002/ange.201411374)
38. Frenking, G.; Caramori, G. F. "No Need for a Re-examinaton of the Electrostatic Notation of the H-Bonding" Angew. Chem. Int. Ed. 2015, 54, 2596-2599 (DOI:10.1002/anie.201411374)
37. Ulloa, C. O.; Ponce-Vargas, M.; Piccoli, R. M.; Caramori, G. F.; Muñoz-Castro, A. "[2.2.2]Paracyclophane, preference for η6 or η18 coordination mode including Ag(I) and Sn(II): a survey into the cation–π interaction nature through relativistic DFT calculations" RSC Adv. 2015, 5, 7803-7811 (DOI:10.1039/C4RA12859A)
36. Caramori, G. F.; Piccoli, R. M.; Segala, M.; Muñoz-Castro, A.; Guajaro-Maturana, R.; Andrada, D. M.; Frenking, G.; "Cyclic Trinuclear copper(I), silver (I), and gold (I) complexes: A theoretical insight" Dalton Trans. 2015, 44, 377-385. (DOI: 10.1039/C4DT02514H)
35. Fukushima, T.; Fukuda, R.; Kobayashi, K.; Caramori, G. F.; Frenking, G.; Ehara, M. Tanaka, K. "Proton-induced generation of remote N-heterocyclic carbene-Ru complexes" Chem. A Eur. J. 2015, 21, 106-110 (DOI:10.1002/chem.201404932)
2015 - 2020
57. Lima, T. C.; Lucarini, R.; Volpe, A. C.; De Andrade, C. Q.; Souza, A. M.; Pauletti, P. M.; Januario, A. H.; Simaro, G. V.; Bastos, J. K.; Cunha, W. R.; Borges, A.; Laurentiz, R. S.; Conforti. V. A.; Parreira, R. L. T.; Borges, C. H.; Caramori, G. F.; Andriani, K. F. "In vivo and in silico anti-inflammatory mechanism of action of the semisynthetic (-)-cubebin derivatives (-)-honokinin and (-)-O-benzylcubebin" Bioorg. Med. Chem. Lett., 2017, 27, 176-179 (DOI:10.1016/j.bmcl.2016.11.081).
56. Ortolan, A. O.; Caramori, G. F.; Garcia, L. C.; Parreira, R. L. T.; Bento, M, V. B. "Metal-Ligand Bonding situation in Ruthenophanes containing i,j-xylylene-linked-bis(NHC)cyclophane Ligands" J. Organomet. Chem., 2017, 830, 100-108 (DOI:10.1016/j.organchem.2016.12.005).
55. Kar, T.; Adhikari, U.; Scheiner, S.; Roy, A. K.; Parreira, R. L. T.; Bergamo, P. A. S.; Caramori, G. F.; Schneider, F.S. S. "Solvation Enhances the Distinction between Carboxylated Armchair and Zigzag Single-wall Carbon Nanotubes (SWNT-COOH)" J. Phys. chem. C, 2017, 121, 9516-9527 (DOI:10.1021/jpcc.6b10676)
54. Parreira, R. l. T.; Nassar, E. J.; Silva, E. H.; Rocha, L. A.; Bergamo, P. A. S.; Ferreira, C. M. A.; Kar, T.; Fonseca, D. E. P; Coimbra, D. F.; Caramori, G. F. "Electronic Properties and Metal-ligand Bonding Situation in Eu(III) Complexes Containing Tris(pyrazolyl)borate and Phenantroline Ligands" J. Luminescence 2017, 182, 137-145, (DOI:10.1016/j.jlumin.2016.10.023).
53. de Oliveira, L. K.; Alves, A. L. A.; Barbosa, V.; Parreira, R. L. T.; Banegas, R. S.; Caramori, G. F.; Ciuffi, K. J.; Molina, E. F. "Interaction of the Emerging Pollutant Bisphenol A with the Hybrid Matrix Ureasil-PEO800: Experimental study and Molecular Dynamics Simulation" N. J. Chem. 2016, XX, XXX (submitted).
52. Segala, M.; Schneider, F. S. S.; Caramori, G. F.; Parreira, R. L. T. "An Evaluation of Electron Donation as a Mechanism of the Stabilization of Chalcogenated-Protected Nanoclusters" ChemPhysChem 2016, 17, 3102-3111 (DOI:10.1002/cphc.201600552).
51. Nagurniak, G. R.; Caramori, G. F.; Parreira, R. L. T.; Bergamo, P. A. S.; Frenking, G.; Muñoz-Castro, A. "Shedding Light on the Nature of Host-Guest Interactions in PAHs-ExBox4+ Complexes" J. Phys. Chem. C 2016, 120, 15480-15487 (DOI:10.1021/acs.jpcc.6b04844).
50. Borges, C.; Cruz, M.; Carneiro, L.; da Silva, J.; Bastos, J.; Tavares, D.; Roges, H.; Rodrigues, V.; Veneziani, R.; Parreira, R. L. T.; Caramori, G. F.; Nagurniak, G.; Magalhães, L.; Ambrósio, S. R. J. "Copaifera duckei Oleoresin and Its Main non Volatile Terpenes: In vitro Schistosomicidal Properties" J. Chem. Biodiv., 2016, 13, 1348-1356 (DOI:10.1002/cbdv.201600065).
49. Ciancaleoni, G.; Arca, M.; Caramori, G. F.; Frenking, G.; Schneider, F. S. S. ; Lippolis, V. "Bonding Analysis in Homo- and Hetero-Trihalides Species: A Charge Displacement Study" Eur. J. Inorg. Chem. 2016, 2016, 3804-3812 (DOI:10.1002/ejic.201600471)
48. Garcia, L. C.; Caramori, G;. F.; Bergamo, P. A. S.; Parreira, R. L. T. "Transport Properties of Ruthenophanes - A Theoretical Insight" Chem. Phys. 2016, XX, XXX, (DOI:10.1016/j.chemphys.2016.05.030).
47. Westphal, E.; Gallardo, H.; Caramori, G. F.; Sebástian, N.; Tamba, M. G.; Eremin, A.; Kawauchi, S.; Prehm, M.; Tschierske, C. "Polar Order and Symmetry Breaking between Bent-Core and Rodlike Molecular Forms: When 4-Cyanoresorcinol Meets Carbosilane End Group" Chem. A Eur. J. 2016, 22, 1-18, (10.1002/chem.201503901).
46. Pelegrini, M.; Parreira, R. L. T.; Ferrão, L. F. A.; Caramori, G. F.; Ortolan, A. O.; da Silva, E. H.; Roberto-Neto, O.; Rocco, J. A. F. F.; Machado, F. B. C. "Hydrazine Decomposition on a Small Platinum Cluster: The Role of N2H5 Intermediate" Theor. Chem. Acc. 2016, 135, 1-12, (DOI:10.1007/s00214-016-1816-x).
45. Oliveira, R. S.; Boffo, E. F.; Reis, F. C. C.; Nikolau, S.; Andriani, K. F.; Caramori, G. F.; Doro, F. G. "A Ruthenium Polypyridyl Complex with the Antihypertensive Drug Varsatan: Synthesis, Theoretical Calculations, and Interaction Studies with Human Serum Albumin" Polyhedron, 2016, 114, 232-241 (DOI:10.1016/j.poly.2015.12.029).
44. Doro, F. G.; Ferreira, K. Q.; da Rocha, Z. N.; Caramori, G. F.; Gomes, A. J.; Tfouni, E. "The Versatile Ruthenium(II/III) Tetraazamacrocycle complexes and their Nitrosyl Derivatives" Coord. Chem. Rev. 2016, 306, 652-677 (DOI:10.1016/j.ccr.2015.03.021)
43. Ortolan, A. O.; Caramori, G. F.; Frenking, G.; Muñoz-Castro, A. "Role of the Cation Formal Charge into Cation–π interaction. A Survey Involving the [2.2.2]Paracyclophane Host from Relativistic DFT Calculations." New J. Chem. 2015, 39, 9963-9968 (DOI:10.1039/C5NJ02384).
42. Caramori, G. F.; Ortolan, A. O.; Parreira, R. L. T.; da Silva, E. H. "Ruthenium Nitrosyl Complexes Containing Pyridine-functionalized carbenes - A Theoretical Insight" J. Organomet. Chem. 2015, 799-800, 54-60 (DOI:10.1016/j.jorganchem.2015.08.018).
41. Andriani, K. F.; Caramori, G. F.; Muñoz-Castro, A.; Doro, F. G. "The Influence of L Ligands on the {RuNO}6/7 Bonding Situation in cis-[Ru(NO)(NO2)L1-4]q Complexes: A Theoretical Insight" RSC Adv. 2015, 5, 69057-69066 (DOI:10.1039/C5R41088H).
40. Stock, R.; Nandi, L.; Nicoleti, C.; Schramm, A.; Meller, S.; Heying, R.; Coimbra, D. F.; Andriani, K. F.; Caramori, G. F.; Bortoluzzi, A.; Machado, V. G. "Synthesis and Solvatochromism of Substituted 4-(Nitrostyryl)phenolate Dyes" J. Org. Chem. 2015, 80, 7971-7983 (DOI:10.1021/acs.joc.5b00983).
39. Frenking, G.; Caramori, G. F. "No Need for a Re-examinaton of the Electrostatic Notation of the H-Bonding" Angew. Chem. 2015, 127, 2632-2635 (DOI:10.1002/ange.201411374)
38. Frenking, G.; Caramori, G. F. "No Need for a Re-examinaton of the Electrostatic Notation of the H-Bonding" Angew. Chem. Int. Ed. 2015, 54, 2596-2599 (DOI:10.1002/anie.201411374)
37. Ulloa, C. O.; Ponce-Vargas, M.; Piccoli, R. M.; Caramori, G. F.; Muñoz-Castro, A. "[2.2.2]Paracyclophane, preference for η6 or η18 coordination mode including Ag(I) and Sn(II): a survey into the cation–π interaction nature through relativistic DFT calculations" RSC Adv. 2015, 5, 7803-7811 (DOI:10.1039/C4RA12859A)
36. Caramori, G. F.; Piccoli, R. M.; Segala, M.; Muñoz-Castro, A.; Guajaro-Maturana, R.; Andrada, D. M.; Frenking, G.; "Cyclic Trinuclear copper(I), silver (I), and gold (I) complexes: A theoretical insight" Dalton Trans. 2015, 44, 377-385. (DOI: 10.1039/C4DT02514H)
35. Fukushima, T.; Fukuda, R.; Kobayashi, K.; Caramori, G. F.; Frenking, G.; Ehara, M. Tanaka, K. "Proton-induced generation of remote N-heterocyclic carbene-Ru complexes" Chem. A Eur. J. 2015, 21, 106-110 (DOI:10.1002/chem.201404932)
2009 - 2014
34. Pereira, E. R.; Welz, B.; Lopez, A. H. D.; De Gois, J.; Caramori, G. F.; Borges, D. L. G.; Carasek, E. deAndrade, J. B. "Strontium mono-chloride - a new molecule for the determination of chlorine using high-resolution graphite furnace molecular absorption spectrometry and direct solid sample analysis" Spectrochimica Acta. Part B, Atomic Spectroscopy 2014, 102, 1-6 (DOI:10.1016/j.sab.2014.09.018)
33. Caramori, G.; Garcia, L. C.; Andrada, D. M.; Frenking, G. "Ruthenium(II ) complexes of N-heterocyclic carbenes derived
from imidazolium-linked cyclophanes"
Dalton Trans. 2014, 43, 14710-14719 (DOI:10.1039/C4DT01473A)
32. Caramori, G. F.; Garcia, L. C.; Andrada, D. M.; Frenking, G. "Ruthenophanes: Evaluating cation-π interactions in [Ru(η6-C16H12R4)(NH3)3]2+/3+ Complexes. A Computational Insigh" Organometallics 2014, 33, 2301-2312 (DOI:10.1021/om500203u)
31. Mondeli, M. A.; Graminha, A. E.; Corrêa, R. S.; daSilva, M. M.; Carnizelo, A. P.; von Poelhsitz, G.; Ellena, J.; Deflon, V. M.; Caramori, G. F.;Torre, M. H.; Tavares. D. C.; Batista, A. A. "Ruthenium(II)/4,6-dimethyl-2-mercaptopyrimidine complexes: Synthesis, characterization, X-ray structures and vitro cytotoxicity on cancer cell lines" Polyhedron 2014, 68, 312-318 (DOI:10.1016/j.poly.2013.11.001)
30. Molina, E.; Parreira, R. L. T.; de Faria, E.; Carvalho, H.; Caramori, G. F.; Coimbra, D. F.; Nassar, E.; Ciuffi, K. "Ureasil-Poly(ethylene oxide) Hybrid Matrix for Selective Adsorption and Separation of Dyes from Water" Langmuir 2014, 30, 3857-3868 (DOI:10.1021/la404812e)
29. Szpoganicz, B.; Caramori, G. F.; et. ali. "Spectroscopy and Theoretical Studies of Natural Melanin (eumelanin), and its Complexation by Iron(III)." Inorg. Chim. Acta. 2014, 67, 986-1001 (DOI:10.1080/00958972.2014.905686)
28. Andriani, K. F.; Caramori, G. F.; Doro, F. G.; Tfouni, E. "Ru-NO and Ru-NO2 Bonding Linkage Isomerism in cis-[Ru(NO)(NO2)(bipy)2]2+ Complexes - A Theoretical Insight" Dalton Trans. 2014, 43, 8792-8804 (DOI:10.1039/C4DT00016A)
27. Lopez, A. H. D.; Caramori, G. F.; Coimbra, D. F.; Parreira, R. L. T. "The Two Faces of Hydrogen-Bond Strength on Triple AAA-DDD Arrays" Chem. Phys. Chem. 2013 , 14, 3994-4001 (DOI:10.1002/cphc.201300639)
26. Pollo, L.; Bosi, C.; Leite, A.; Rigotto, C.; Simoes, C.; Fonseca, D. E. P.; Coimbra, D. F.; Caramori, G. F.; Nepel, A.; Campos, F.; Barison, A.; Biavatti, M. "Polyacetylenes from the Leaves of Vernonia Scorpioides (Asteraceae) and Their Antiherpetic Activities" Phytochemistry 2013, 95, 375-383(DOI:10.1016/j.phytochem.2013.07.011)
25. Caramori, G. F.; Kunitz, A. G.; Coimbra, D. F.; Garcia, L. C.; Fonseca, D. E. P. "The Ru-NO Bonding in Nitrosyl-[poly(1-pyrazolyl)borate]ruthenium Complexes - A Theoretical Insight Based on the Su-Li EDA" J. Braz. Chem. Soc. 2013, 24, 1487-1496.(DOI:10.5935/0103-5053.20130188)
24. Sá, M. M.; Ferreira, M.; Caramori, G. F.; Zaramello, L.; Bortoluzzi, A. J.; Faggion Jr. D.; Domingos, J. B. "Investigating the Ritter-type Reaction of α-Methylene-β-hydroxy Esters in Acidic Medium: Evidence for the Intermediacy of an Allylic Carbenium" Eur. J. Org. Chem. 2013, 5180-5187 (DOI:10.1002/ejoc.201300035)
23. Gallardo, H.; Santos, D. M. P. O.; Caramori, G. F.; Molin, F.; Bechtold, I. H. "Synthetic Pathway for a New Series of Liquid Crystal 2,6-Disubstituted imidazo[2,1-b][1,3,4]thiadiazole" Liq. Cryst. 2013, 40, 570-580 (DOI:10.1080/02678292.2013.777977)
22. Silveira, V. C.; Abbott, M. P.; Cavicchioli, M.; Golçalves, M. B.; Petrilli, H. M.; de Rezende, L.; Amaral, A. T.; Fonseca, D. E. P.; Caramori, G. F.; Ferreira, A. M. D. C. "Peculiar Reactivity of a Di-imine Copper(II) Complex Regarding its Binding to Albumin Protein" Dalton Trans. 2013, 42, 6386-6396 (DOI: 10.1039/C3DT00108C)
21. Rocha, E. L.; Caramori, G. F.; Rambo, C. R. "Nanoparticle Translocation through a Lipid Bilayer Tuned by Surface Chemistry" Phys. Chem. Chem. Phys. 2013, 15, 2282-2290 (DOI: 10.1039/C2CP44035K) - Front Cover.
20. Parreira, R. L. T.; Caramori, G. F.; Morgon, N. H.; Galembeck, S. E. "Hydrogen Bonds and the Ressonance Effect on the Formamide-Water Complexes" Int. J. Quantum Chem. 2012, 112, 1401-1420 (DOI: 10.1002/qua.23124)
19. Caramori, G. F.; Parreira, R. L. T.; Ferreira, A. M. C. D. "Isatin-Schiff Base Copper(II) Complexes - A DFT Study of the Metal-Ligand Bonding Situation" Int. J. Quantum Chem. 2012, 112, 625-646 (DOI: 10.1002/qua.23030)
18. Nandi, L. G.; Facin, F.; Marini, V. G.; Zimmermann, L. M.; Giusti, L. A.; da Silva, R.; Caramori, G. F.; Machado, V. G. "Nitro-Substituted 4-[(phenylmethylene)imino]phenolates: Solvatochromism and Their Use as Solvatochromic Switches and as Probes for the Investigation of Preferential Solvente in Solvent Mixtures" J. Org. Chem. 2012, 77, 10668-10679 (DOI: 10/1021/jo301890r)
17. Caramori, G. F.; Kunitz, A. G.; Doro, F.G.; Andriani, K. F.; Frenking, G.; Tfouni. E. "The Nature of Ru-No Bonds in Ruthenium Tetraazamacrocycle Nitrosyl Complexes - A Computational Study" Dalton Trans. 2012, 41, 7327-7339 (DOI: 10/1039/C2DT12094A)
16. Tavares, L. T.; Johann, S.; Alves, T. M. A.; Guerra, J. C.; Souza-Fagundes, E. M.; Cisalpino, P. S.; Bortoluzzi, A. J.; Caramori, G. F.; Piccoli, R. M.; Braibante, H. T. S.; Braibante, M. E. F.; Pizzolatti, M. G. "Quinolinyl N-oxide Chalcones; Synthesis, Antifungal and Cytotoxic Activities" Eur. J. Med. Chem. 2011, 46, 4448-4456 (DOI: 10.1016/j.jmech.2011.07.019)
15. Azzellini, M. A. A.; Abbott, M. P.; Machado, A.; Miranda, M. T. M.; Garcia, L. C.; Caramori, G. F.; Goncalves, M. B.; Petrilli, H.; Ferreira, A. M. D. C. "Interactions of Di-Imine Copper(II) Complexes with Albumin: Competitive Equilibria, Promoted Oxidative Damage and DFT Studies" J. Braz. Chem. Soc. 2010, 21, 1303-1317.
14. Buskuhl, H.; de Oliveira, F. L.; Blind, L. Z.; de Freitas, R. A.; Barison, A.; Campos, F. R.; Corilo, Y. E.; Eberlin, M. N.; Caramori, G. F.; Biavatti, M. W. "Sesquiterpene Lactones from Vernonia Scorpioides and Their in Vitro Cytotoxixity" Phytochemistry 2010, 71, 1539-1544 (DOI: 10.1016/j.phytochem.2010.06.007)
13. Caramori, G. F.; Frenking, G. "The Effects of N-Heterocyclic Ligands on the Nature of Ru-NO Bond in Ruthenium Tetraammine Nitrosyl Complexes" Croat. Chem. Acta 2009, 82, 219-232.
12. Silveira, V. C.; Caramori, G. F.; Abbott, M. P.; Gonçalves, M. B.; Petrilli, H.; Ferreira, A. M. C. D. "Oxindole-Schiff Base Copper(II) Complexes Interactionsn with Human Serum Albumin: Spectroscopic, Oxidative Damage, and Computational Studies" J. Inorg. Biochem. 2009, 103, 1331-1341.
11. Caramori, G. F.; Oliveira, K. T. "Aromaticidade Evolução Histórica do Conceito e Critérios Quantitativos" Química Nova 2009, 32, 1871-1884
2003 - 2008
10. Caramori, G. F.; Frenking. G. "Analysis of the Metal-Ligand Bond in [Mo(x)(NH2)3] (X= P, PO, and NO), [Mo(CO)5(NO)]+, and [Mo(CO)5(PO)]+" Theor. Chem. Acc. 2008, 120, 351-361 (DOI: 10.1007/s00214-008-0435-6)
9. Parreira, R. L. T.; Caramori, G. F.; Galembeck, S. E.; Huguenin, F. "The Nature of the Interactions between Pt4 Cluster and the Adsorbates H, OH, and H2O" J. Phys. Chem. A. 2008, 112, 11731-11743 (DOI: 10.1021/jp8033177)
8. Caramori, G. F.; Galembeck, S. E.; "A Computational Study of Tetrafluoro-[2.2]Cyclophanes" J. Phys. Chem. A. 2008, 112, 11784-11800 (DOI: 10.1021/jp805125r)
7. Caramori, G. F.; Galembeck, S. E.; "Computational Study about Through-bond and Through-space Interactions in [2.2]Cyclophanes" J. Phys. Chem. A 2007, 111, 1705-1712 (DOI: 10.1021/jp066863h)
6. Caramori, G. F.; Oliveira, K. T.; Galembeck, S. E.; Bultinck, P.; Constantino, M. G. "Aromaticity in Methano[10]annulenes" J. Org. Chem. 2007, 72, 76-85, (DOI: 10.1021/jo061702v)
5. Caramori, G. F.; Frenking, G. "The Nature of Ru-NO Bond in Ruthenium Tetraammine Nitrosyl Complexes" Organometallics, 2007, 26, 5815-5825, (DOI: 10.1021/om700271r)
4. Rustici, V. C. F.; Caramori, G. F.; Galembeck, S. E. "Efeitos de Substituintes na Ligação de Hidrogênio do 3-hidroxi-propenal" Química Nova, 2005, 29, 1187-1192 (DOI: 10.1590/S0100-40422006000600008).
3. Galembeck, S. E.; Caramori, G. F.; Romero, J. R. "A New Exploration of the Torsional Energy Surface of n-Pentane using Molecular Modeling Software" J. Chem. Edu. 2005, 82, 1800-1805 (DOI: 10.1021/ed082p1800).
2. Caramori, G. F.; Galembeck, S. E.; Laali, K. K.; "A Computational Study of [2.2]Cyclophanes" J. Org. Chem. 2005, 70, 3242-3250, (DOI: 10.1021/jo047864d).
1. Galembeck, S. E.; Caramori, G. F.; "Qual o Sítio de Reação? Um experimento Computacional" Química Nova, 2003, 26, 957-959.
34. Pereira, E. R.; Welz, B.; Lopez, A. H. D.; De Gois, J.; Caramori, G. F.; Borges, D. L. G.; Carasek, E. deAndrade, J. B. "Strontium mono-chloride - a new molecule for the determination of chlorine using high-resolution graphite furnace molecular absorption spectrometry and direct solid sample analysis" Spectrochimica Acta. Part B, Atomic Spectroscopy 2014, 102, 1-6 (DOI:10.1016/j.sab.2014.09.018)
33. Caramori, G.; Garcia, L. C.; Andrada, D. M.; Frenking, G. "Ruthenium(
32. Caramori, G. F.; Garcia, L. C.; Andrada, D. M.; Frenking, G. "Ruthenophanes: Evaluating cation-π interactions in [Ru(η6-C16H12R4)(NH3)3]2+/3+ Complexes. A Computational Insigh" Organometallics 2014, 33, 2301-2312 (DOI:10.1021/om500203u)
31. Mondeli, M. A.; Graminha, A. E.; Corrêa, R. S.; daSilva, M. M.; Carnizelo, A. P.; von Poelhsitz, G.; Ellena, J.; Deflon, V. M.; Caramori, G. F.;Torre, M. H.; Tavares. D. C.; Batista, A. A. "Ruthenium(II)/4,6-dimethyl-2-mercaptopyrimidine complexes: Synthesis, characterization, X-ray structures and vitro cytotoxicity on cancer cell lines" Polyhedron 2014, 68, 312-318 (DOI:10.1016/j.poly.2013.11.001)
30. Molina, E.; Parreira, R. L. T.; de Faria, E.; Carvalho, H.; Caramori, G. F.; Coimbra, D. F.; Nassar, E.; Ciuffi, K. "Ureasil-Poly(ethylene oxide) Hybrid Matrix for Selective Adsorption and Separation of Dyes from Water" Langmuir 2014, 30, 3857-3868 (DOI:10.1021/la404812e)
29. Szpoganicz, B.; Caramori, G. F.; et. ali. "Spectroscopy and Theoretical Studies of Natural Melanin (eumelanin), and its Complexation by Iron(III)." Inorg. Chim. Acta. 2014, 67, 986-1001 (DOI:10.1080/00958972.2014.905686)
28. Andriani, K. F.; Caramori, G. F.; Doro, F. G.; Tfouni, E. "Ru-NO and Ru-NO2 Bonding Linkage Isomerism in cis-[Ru(NO)(NO2)(bipy)2]2+ Complexes - A Theoretical Insight" Dalton Trans. 2014, 43, 8792-8804 (DOI:10.1039/C4DT00016A)
27. Lopez, A. H. D.; Caramori, G. F.; Coimbra, D. F.; Parreira, R. L. T. "The Two Faces of Hydrogen-Bond Strength on Triple AAA-DDD Arrays" Chem. Phys. Chem. 2013 , 14, 3994-4001 (DOI:10.1002/cphc.201300639)
26. Pollo, L.; Bosi, C.; Leite, A.; Rigotto, C.; Simoes, C.; Fonseca, D. E. P.; Coimbra, D. F.; Caramori, G. F.; Nepel, A.; Campos, F.; Barison, A.; Biavatti, M. "Polyacetylenes from the Leaves of Vernonia Scorpioides (Asteraceae) and Their Antiherpetic Activities" Phytochemistry 2013, 95, 375-383(DOI:10.1016/j.phytochem.2013.07.011)
25. Caramori, G. F.; Kunitz, A. G.; Coimbra, D. F.; Garcia, L. C.; Fonseca, D. E. P. "The Ru-NO Bonding in Nitrosyl-[poly(1-pyrazolyl)borate]ruthenium Complexes - A Theoretical Insight Based on the Su-Li EDA" J. Braz. Chem. Soc. 2013, 24, 1487-1496.(DOI:10.5935/0103-5053.20130188)
24. Sá, M. M.; Ferreira, M.; Caramori, G. F.; Zaramello, L.; Bortoluzzi, A. J.; Faggion Jr. D.; Domingos, J. B. "Investigating the Ritter-type Reaction of α-Methylene-β-hydroxy Esters in Acidic Medium: Evidence for the Intermediacy of an Allylic Carbenium" Eur. J. Org. Chem. 2013, 5180-5187 (DOI:10.1002/ejoc.201300035)
23. Gallardo, H.; Santos, D. M. P. O.; Caramori, G. F.; Molin, F.; Bechtold, I. H. "Synthetic Pathway for a New Series of Liquid Crystal 2,6-Disubstituted imidazo[2,1-b][1,3,4]thiadiazole" Liq. Cryst. 2013, 40, 570-580 (DOI:10.1080/02678292.2013.777977)
22. Silveira, V. C.; Abbott, M. P.; Cavicchioli, M.; Golçalves, M. B.; Petrilli, H. M.; de Rezende, L.; Amaral, A. T.; Fonseca, D. E. P.; Caramori, G. F.; Ferreira, A. M. D. C. "Peculiar Reactivity of a Di-imine Copper(II) Complex Regarding its Binding to Albumin Protein" Dalton Trans. 2013, 42, 6386-6396 (DOI: 10.1039/C3DT00108C)
21. Rocha, E. L.; Caramori, G. F.; Rambo, C. R. "Nanoparticle Translocation through a Lipid Bilayer Tuned by Surface Chemistry" Phys. Chem. Chem. Phys. 2013, 15, 2282-2290 (DOI: 10.1039/C2CP44035K) - Front Cover.
20. Parreira, R. L. T.; Caramori, G. F.; Morgon, N. H.; Galembeck, S. E. "Hydrogen Bonds and the Ressonance Effect on the Formamide-Water Complexes" Int. J. Quantum Chem. 2012, 112, 1401-1420 (DOI: 10.1002/qua.23124)
19. Caramori, G. F.; Parreira, R. L. T.; Ferreira, A. M. C. D. "Isatin-Schiff Base Copper(II) Complexes - A DFT Study of the Metal-Ligand Bonding Situation" Int. J. Quantum Chem. 2012, 112, 625-646 (DOI: 10.1002/qua.23030)
18. Nandi, L. G.; Facin, F.; Marini, V. G.; Zimmermann, L. M.; Giusti, L. A.; da Silva, R.; Caramori, G. F.; Machado, V. G. "Nitro-Substituted 4-[(phenylmethylene)imino]phenolates: Solvatochromism and Their Use as Solvatochromic Switches and as Probes for the Investigation of Preferential Solvente in Solvent Mixtures" J. Org. Chem. 2012, 77, 10668-10679 (DOI: 10/1021/jo301890r)
17. Caramori, G. F.; Kunitz, A. G.; Doro, F.G.; Andriani, K. F.; Frenking, G.; Tfouni. E. "The Nature of Ru-No Bonds in Ruthenium Tetraazamacrocycle Nitrosyl Complexes - A Computational Study" Dalton Trans. 2012, 41, 7327-7339 (DOI: 10/1039/C2DT12094A)
16. Tavares, L. T.; Johann, S.; Alves, T. M. A.; Guerra, J. C.; Souza-Fagundes, E. M.; Cisalpino, P. S.; Bortoluzzi, A. J.; Caramori, G. F.; Piccoli, R. M.; Braibante, H. T. S.; Braibante, M. E. F.; Pizzolatti, M. G. "Quinolinyl N-oxide Chalcones; Synthesis, Antifungal and Cytotoxic Activities" Eur. J. Med. Chem. 2011, 46, 4448-4456 (DOI: 10.1016/j.jmech.2011.07.019)
15. Azzellini, M. A. A.; Abbott, M. P.; Machado, A.; Miranda, M. T. M.; Garcia, L. C.; Caramori, G. F.; Goncalves, M. B.; Petrilli, H.; Ferreira, A. M. D. C. "Interactions of Di-Imine Copper(II) Complexes with Albumin: Competitive Equilibria, Promoted Oxidative Damage and DFT Studies" J. Braz. Chem. Soc. 2010, 21, 1303-1317.
14. Buskuhl, H.; de Oliveira, F. L.; Blind, L. Z.; de Freitas, R. A.; Barison, A.; Campos, F. R.; Corilo, Y. E.; Eberlin, M. N.; Caramori, G. F.; Biavatti, M. W. "Sesquiterpene Lactones from Vernonia Scorpioides and Their in Vitro Cytotoxixity" Phytochemistry 2010, 71, 1539-1544 (DOI: 10.1016/j.phytochem.2010.06.007)
13. Caramori, G. F.; Frenking, G. "The Effects of N-Heterocyclic Ligands on the Nature of Ru-NO Bond in Ruthenium Tetraammine Nitrosyl Complexes" Croat. Chem. Acta 2009, 82, 219-232.
12. Silveira, V. C.; Caramori, G. F.; Abbott, M. P.; Gonçalves, M. B.; Petrilli, H.; Ferreira, A. M. C. D. "Oxindole-Schiff Base Copper(II) Complexes Interactionsn with Human Serum Albumin: Spectroscopic, Oxidative Damage, and Computational Studies" J. Inorg. Biochem. 2009, 103, 1331-1341.
11. Caramori, G. F.; Oliveira, K. T. "Aromaticidade Evolução Histórica do Conceito e Critérios Quantitativos" Química Nova 2009, 32, 1871-1884
2003 - 2008
10. Caramori, G. F.; Frenking. G. "Analysis of the Metal-Ligand Bond in [Mo(x)(NH2)3] (X= P, PO, and NO), [Mo(CO)5(NO)]+, and [Mo(CO)5(PO)]+" Theor. Chem. Acc. 2008, 120, 351-361 (DOI: 10.1007/s00214-008-0435-6)
9. Parreira, R. L. T.; Caramori, G. F.; Galembeck, S. E.; Huguenin, F. "The Nature of the Interactions between Pt4 Cluster and the Adsorbates H, OH, and H2O" J. Phys. Chem. A. 2008, 112, 11731-11743 (DOI: 10.1021/jp8033177)
8. Caramori, G. F.; Galembeck, S. E.; "A Computational Study of Tetrafluoro-[2.2]Cyclophanes" J. Phys. Chem. A. 2008, 112, 11784-11800 (DOI: 10.1021/jp805125r)
7. Caramori, G. F.; Galembeck, S. E.; "Computational Study about Through-bond and Through-space Interactions in [2.2]Cyclophanes" J. Phys. Chem. A 2007, 111, 1705-1712 (DOI: 10.1021/jp066863h)
6. Caramori, G. F.; Oliveira, K. T.; Galembeck, S. E.; Bultinck, P.; Constantino, M. G. "Aromaticity in Methano[10]annulenes" J. Org. Chem. 2007, 72, 76-85, (DOI: 10.1021/jo061702v)
5. Caramori, G. F.; Frenking, G. "The Nature of Ru-NO Bond in Ruthenium Tetraammine Nitrosyl Complexes" Organometallics, 2007, 26, 5815-5825, (DOI: 10.1021/om700271r)
4. Rustici, V. C. F.; Caramori, G. F.; Galembeck, S. E. "Efeitos de Substituintes na Ligação de Hidrogênio do 3-hidroxi-propenal" Química Nova, 2005, 29, 1187-1192 (DOI: 10.1590/S0100-40422006000600008).
3. Galembeck, S. E.; Caramori, G. F.; Romero, J. R. "A New Exploration of the Torsional Energy Surface of n-Pentane using Molecular Modeling Software" J. Chem. Edu. 2005, 82, 1800-1805 (DOI: 10.1021/ed082p1800).
2. Caramori, G. F.; Galembeck, S. E.; Laali, K. K.; "A Computational Study of [2.2]Cyclophanes" J. Org. Chem. 2005, 70, 3242-3250, (DOI: 10.1021/jo047864d).
1. Galembeck, S. E.; Caramori, G. F.; "Qual o Sítio de Reação? Um experimento Computacional" Química Nova, 2003, 26, 957-959.