| Year |
Citation |
Score |
| 2024 |
Francisco CB, Fernandes CS, Franco Dourado F, Gauze GF, Rittner R, Prosser RS, Basso EA. Conformational Landscape of α-Halopropiophenones Determined by NMR Reveals Unexpected Patterns and Geometric Constraints. The Journal of Physical Chemistry. A. 128: 1566-1575. PMID 38412415 DOI: 10.1021/acs.jpca.3c06934 |
0.359 |
|
| 2020 |
de Melo UZ, Fernandes CS, Francisco CB, Carini TC, Gauze GF, Rittner R, Basso EA. Conformational Isomerism of 3-Chalcogenomethyl--Methyl-2-Pyrrolidinones: Insights from NMR Spectroscopy and Molecular Modeling. The Journal of Physical Chemistry. A. PMID 32960599 DOI: 10.1021/acs.jpca.0c06679 |
0.484 |
|
| 2019 |
Francisco CB, Fernandes CS, de Melo UZ, Rittner R, Gauze GF, Basso EA. Strong hyperconjugative interactions limit solvent and substituent influence on conformational equilibrium: the case of -2-halocyclohexylamines. Beilstein Journal of Organic Chemistry. 15: 818-829. PMID 31019574 DOI: 10.3762/bjoc.15.79 |
0.481 |
|
| 2018 |
Melo UZd, Yamazaki DAdS, Cândido AdA, Basso EA, Gauze GdF. DFT calculations and NMR measurements applied to the conformational analysis of cis and trans -3-phenylaminocyclohexyl N,N -dimethylcarbamates Journal of Molecular Structure. 1163: 227-235. DOI: 10.1016/J.MOLSTRUC.2018.01.096 |
0.464 |
|
| 2017 |
Levandowski MN, Rozada TC, Melo UZ, Basso EA, Fiorin BC. Conformational equilibrium of phenylacetic acid and its halogenated analogues through theoretical studies, NMR and IR spectroscopy. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 174: 138-146. PMID 27889673 DOI: 10.1016/j.saa.2016.10.050 |
0.51 |
|
| 2016 |
Rozada TdC, Pontes RM, Rittner R, Basso EA. Stereoelectronic effects of the glycosidic linkage on the conformational preference of d-sucrose Rsc Advances. 6: 112806-112812. DOI: 10.1039/C6RA24413K |
0.316 |
|
| 2016 |
Ribeiro MAdS, Gomes CMB, Formagio ASN, Pereira ZV, Melo UZ, Basso EA, da Costa WF, Baldoqui DC, Sarragiotto MH. ChemInform Abstract: Structural Characterization of Dimeric Indole Alkaloids from Psychotria brachybotrya by NMR Spectroscopy and Theoretical Calculations. Cheminform. 47. DOI: 10.1002/CHIN.201628240 |
0.421 |
|
| 2015 |
de Melo UZ, Silva RG, Yamazaki DA, Pontes RM, Gauze GF, Rosa FA, Rittner R, Basso EA. NMR spectroscopy and theoretical calculations in the conformational analysis of 1-methylpyrrolidin-2-one 3-halo-derivatives. The Journal of Physical Chemistry. A. 119: 2111-21. PMID 25679501 DOI: 10.1021/jp512378g |
0.556 |
|
| 2015 |
Rozada TC, Gauze GF, Rosa FA, Favaro DC, Rittner R, Pontes RM, Basso EA. The conformational analysis of 2-halocyclooctanones. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 137: 176-84. PMID 25218227 DOI: 10.1016/J.Saa.2014.08.052 |
0.506 |
|
| 2015 |
Ribeiro MAdS, Gomes CMB, Formagio ASN, Pereira ZV, Melo UZ, Basso EA, da Costa WF, Baldoqui DC, Sarragiotto MH. Structural characterization of dimeric indole alkaloids from Psychotria brachybotrya by NMR spectroscopy and theoretical calculations Tetrahedron Letters. DOI: 10.1016/j.tetlet.2016.02.040 |
0.442 |
|
| 2014 |
Santos MF, Braga CB, Rozada TC, Basso EA, Fiorin BC. Rotational isomerism of some chloroacetamides: theoretical and experimental studies through calculations, infrared and NMR. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 129: 148-56. PMID 24727174 DOI: 10.1016/j.saa.2014.02.124 |
0.712 |
|
| 2012 |
Rozada TC, Gauze GF, Favaro DC, Rittner R, Basso EA. Infrared and theoretical calculations in 2-halocycloheptanones conformational analysis. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 94: 277-87. PMID 22534556 DOI: 10.1016/J.Saa.2012.03.027 |
0.551 |
|
| 2012 |
Melo UZ, Gauze GF, Bagatin MC, Pontes RM, Basso EA. A theoretical and experimental study of the conformational behavior of trans-2-azidocyclohexanol in solution Journal of Molecular Structure. 1026: 93-101. DOI: 10.1016/j.molstruc.2012.05.023 |
0.383 |
|
| 2012 |
Richter WE, Pontes RM, Abiko LA, Gauze GF, Basso EA. Computation of 3J HH coupling constants with a combination of density functional theory and semiempirical calculations. Application to complex molecules Computational and Theoretical Chemistry. 1001: 7-14. DOI: 10.1016/J.Comptc.2012.10.019 |
0.318 |
|
| 2011 |
Basso EA, Abiko LA, Gauze GF, Pontes RM. Conformational analysis of cis-2-halocyclohexanols; solvent effects by NMR and theoretical calculations. The Journal of Organic Chemistry. 76: 145-53. PMID 21121596 DOI: 10.1021/jo101819u |
0.536 |
|
| 2011 |
Bocca CC, Rittner R, Da Silva AP, Basso EA. Substituent effects on the reduction of 2-alkylcyclohexanones by LiAlH 4: An investigation of conformational equilibria and transition states Journal of Physical Organic Chemistry. 24: 241-248. DOI: 10.1002/poc.1734 |
0.307 |
|
| 2010 |
Pontes RM, Basso EA. Medium effect on the rotational barrier of N,N,N'-trimethylurea and N,N,N'-trimethylthiourea: experimental and theoretical study. The Journal of Physical Chemistry. A. 114: 6423-30. PMID 20465300 DOI: 10.1021/jp101524y |
0.326 |
|
| 2009 |
Fiorin BC, Basso EA, Tormena CF, Rittner R, Abraham RJ. Theoretical and experimental investigation on the rotational isomerism in alpha-fluoroacetophenones. The Journal of Physical Chemistry. A. 113: 2906-13. PMID 19260690 DOI: 10.1021/Jp808048S |
0.702 |
|
| 2009 |
Gauze GF, Basso EA, Contreras RH, Tormena CF. Effect of sulfur oxidation on the transmission mechanism of 4J(HH) NMR coupling constants in 1,3-dithiane. The Journal of Physical Chemistry. A. 113: 2647-51. PMID 19216509 DOI: 10.1021/Jp810981Z |
0.569 |
|
| 2007 |
Cedran JC, dos Santos FP, Basso EA, Tormena CF. Conformational preferences of 2-methoxy, 2-methylthio, and 2-methylselenocyclohexyl-N,N-dimethylcarbamate: a theoretical and experimental investigation. The Journal of Physical Chemistry. A. 111: 11701-5. PMID 17949064 DOI: 10.1021/Jp075280K |
0.675 |
|
| 2007 |
Basso EA, Gauze GF, Abraham RJ. The prediction of (1)H chemical shifts in amines: a semiempirical and ab initio investigation. Magnetic Resonance in Chemistry : Mrc. 45: 749-57. PMID 17640030 DOI: 10.1002/Mrc.2043 |
0.628 |
|
| 2007 |
Pontes RM, Basso EA, dos Santos FP. Medium effect on the rotational barrier of carbamates and its sulfur congeners. The Journal of Organic Chemistry. 72: 1901-11. PMID 17305395 DOI: 10.1021/jo061934u |
0.439 |
|
| 2007 |
Bocca CC, Basso EA, Mosquetta R. Conformational study of the four main dipyrone metabolites through theoretical methods: Electrostatic potential maps and NBO calculations Journal of Molecular Structure: Theochem. 815: 75-81. DOI: 10.1016/j.theochem.2007.03.022 |
0.308 |
|
| 2006 |
Bocca CC, Basso EA, Fiorin BC, Tormena CF, dos Santos FP. Conformational behavior of cis-2-methoxy, cis-2-methylthio, and cis-2-methylselenocyclohexanol: a theoretical and experimental investigation. The Journal of Physical Chemistry. A. 110: 9438-42. PMID 16869694 DOI: 10.1021/Jp061502N |
0.664 |
|
| 2006 |
Gauze GF, Tormena R, Basso EA, Tormena CF. Stereoelectronic interactions and their effects on conformational preference for 1,3-dithiane-1-oxide and 1,4-dithiane-1-oxide. A theoretical and experimental study Chemical Physics Letters. 426: 176-179. DOI: 10.1016/J.Cplett.2006.05.075 |
0.609 |
|
| 2006 |
Gauze GF, Basso EA, Campos MG, Rittner R, Abraham RJ. H chemical shifts in NMR. Part 24† - Proton chemical shifts in some gem-difunctional compounds: 3-endo- and 3-exo-substituted norbornanones Journal of Physical Organic Chemistry. 19: 376-383. DOI: 10.1002/Poc.1094 |
0.603 |
|
| 2005 |
Düsman LT, Bocca CC, Basso EA, Sarragiotto MH. Conformational and NBO analysis on cis and trans isomers of methyl-1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydro-9H-β-carboline-3- carboxylate Journal of Molecular Structure. 754: 45-50. DOI: 10.1016/j.molstruc.2005.06.022 |
0.479 |
|
| 2005 |
Basso EA, Oliveira PR, Wiectzycoski F, Pontes RM, Fiorin BC. NMR and theoretical study of the (C=O)-N rotational barrier in the isomers cis- and trans- 2-N,N-dimethylaminecyclohexyl 1-N′,N′- dimethylcarbamate Journal of Molecular Structure. 753: 139-146. DOI: 10.1016/j.molstruc.2005.06.001 |
0.49 |
|
| 2004 |
Basso EA, Florin BC, Tormena CF, Rittner R. Conformational behaviour in S-methyl halothioacetates through NMR, FT-IR, and theoretical calculations Canadian Journal of Chemistry. 82: 418-426. DOI: 10.1139/V03-189 |
0.675 |
|
| 2004 |
Gauze GF, Pontes RM, Basso EA. A factorial design analysis of wave functions to be used in calculations of NMR parameters of ketones Journal of Molecular Structure: Theochem. 712: 91-100. DOI: 10.1016/j.theochem.2004.10.007 |
0.362 |
|
| 2004 |
Pontes RM, Fiorin BC, Basso EA. Understanding the conformational behavior of α-haloacetaldehydes: Orbital interactions versus steric repulsion Chemical Physics Letters. 395: 205-209. DOI: 10.1016/j.cplett.2004.07.066 |
0.352 |
|
| 2004 |
Tormena CF, Rittner R, Abraham RJ, Basso EA, Fiorin BC. Conformational analysis of fluoroacetoxime and of its O-methyl ether by 1H, 13C and 15N NMR and theoretical calculations Journal of Physical Organic Chemistry. 17: 42-48. DOI: 10.1002/Poc.682 |
0.685 |
|
| 2003 |
Suwinski J, Szczepankiewicz W, Basso EA, Tormena CF, Freitas MP, Rittner R. Multinuclear magnetic resonance and theoretical calculations in the study of structure and tautomerism of some 2-amino-N'-(aryl)-benzamidines. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 59: 3139-45. PMID 14583289 DOI: 10.1016/S1386-1425(03)00124-0 |
0.638 |
|
| 2003 |
Oliveira PR, Wiectzycosky F, Basso EA, Gonçalves RAC, Pontes RM. Structural characterization of two novel potential anticholinesterasic agents Journal of Molecular Structure. 657: 191-198. DOI: 10.1016/S0022-2860(03)00367-3 |
0.465 |
|
| 2003 |
Freitas MP, Tormena CF, Garcia JC, Rittner R, Abraham RJ, Basso EA, Santos FP, Cedran JC. NMR, solvation and theoretical investigations of conformational isomerism in 2-X-cyclohexanones (X = NME2, OME, SME and SeMe) Journal of Physical Organic Chemistry. 16: 833-838. DOI: 10.1002/Poc.664 |
0.714 |
|
| 2002 |
Basso EA, Pontes RM. Further studies on the rotational barriers of carbamates. An NMR and DFT analysis of the solvent effect for cyclohexyl N,N-dimethylcarbamate Journal of Molecular Structure: Theochem. 594: 199-206. DOI: 10.1016/S0166-1280(02)00391-3 |
0.444 |
|
| 2001 |
Basso EA, Oliveira PR, Caetano J, Schuquel ITA. Semiempirical and ab initio calculations versus dynamic NMR on conformational analysis of cyclohexyl-N,N-dimethylcarbamate Journal of the Brazilian Chemical Society. 12: 215-222. DOI: 10.1590/S0103-50532001000200015 |
0.46 |
|
| 1994 |
Kaiser CR, Rittner R, Basso EA. Proton resonance spectra and substituent-induced chemical shifts of 3-halocamphors Magnetic Resonance in Chemistry. 32: 503-508. DOI: 10.1002/MRC.1260320902 |
0.305 |
|
| 1994 |
Basso EA, Kaiser C, Rittner R, Lambert JB. Electronic interactions implied by the non-additivity of carbon-13 substituent parameters in 2-substituted cyclohexanones Magnetic Resonance in Chemistry. 32: 205-209. DOI: 10.1002/Mrc.1260320403 |
0.322 |
|
| 1993 |
Basso EA, Kaiser C, Rittner R, Lambert JB. Axial/equatorial proportions for 2-substituted cyclohexanones Journal of Organic Chemistry. 58: 7865-7869. DOI: 10.1021/Jo00079A035 |
0.439 |
|
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