| Year |
Citation |
Score |
| 2024 |
Cabral TLG, Dal Poggetto G, da Silva JPB, Nilsson M, Tormena CF. Determining Absolute Configuration of Small Molecules by Diffusion NMR Experiments. Angewandte Chemie (International Ed. in English). e202418508. PMID 39377636 DOI: 10.1002/anie.202418508 |
0.707 |
|
| 2024 |
Chiari C, Batista PR, Viesser RV, Schenberg LA, Ducati LC, Linclau B, Tormena CF. Molecular dynamics and NMR reveal the coexistence of H-bond-assisted and through-space coupling in fluorinated amino alcohols. Organic & Biomolecular Chemistry. PMID 38441115 DOI: 10.1039/d4ob00049h |
0.827 |
|
| 2023 |
Mycroft C, Dal Poggetto G, Barbosa TM, Tormena CF, Nilsson M, Morris GA, Castañar L. Rapid Measurement of Heteronuclear Coupling Constants in Complex NMR Spectra. Journal of the American Chemical Society. PMID 37650656 DOI: 10.1021/jacs.3c05515 |
0.81 |
|
| 2022 |
Westphal R, Venturini Filho E, Loureiro LB, Tormena CF, Pessoa C, Guimarães CJ, Manso MP, Fiorot RG, Campos VR, Resende JALC, Medici F, Greco SJ. Green Synthesis of Spiro Compounds with Potential Anticancer Activity through Knoevenagel/Michael/Cyclization Multicomponent Domino Reactions Organocatalyzed by Ionic Liquid and Microwave-Assisted. Molecules (Basel, Switzerland). 27. PMID 36432151 DOI: 10.3390/molecules27228051 |
0.777 |
|
| 2022 |
Kawamura MY, Alegre-Requena JV, Barbosa TM, Tormena CF, Paton RS, Ferreira MAB. Exploring the Mechanistic Aspects on [3 + 2] Cycloaddition Reactions of Azides to Nitroolefins: A Computational and Kinetic Study. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 36074001 DOI: 10.1002/chem.202202294 |
0.791 |
|
| 2022 |
Soares JV, Dal Poggetto G, Viesser RV, Couto UR, Tormena CF. Stereoelectronic interactions: A booster for J transmission. Magnetic Resonance in Chemistry : Mrc. PMID 35023222 DOI: 10.1002/mrc.5248 |
0.816 |
|
| 2021 |
Viesser RV, Tormena CF. Inverse halogen dependence in anion C NMR. Physical Chemistry Chemical Physics : Pccp. 23: 3019-3030. PMID 33480917 DOI: 10.1039/d0cp05891b |
0.797 |
|
| 2020 |
Dal Poggetto G, Soares JV, Tormena CF. Selective Nuclear Magnetic Resonance Experiments for Sign-Sensitive Determination of Heteronuclear Couplings: Expanding the Analysis of Crude Reaction Mixtures. Analytical Chemistry. PMID 32924438 DOI: 10.1021/Acs.Analchem.0C02976 |
0.382 |
|
| 2019 |
Barbosa TM, Castañar L, Moutzouri P, Nilsson M, Morris GA, Rittner R, Tormena CF. Improving the Sensitivity of FESTA Methods for the Analysis of Fluorinated Mixtures. Analytical Chemistry. PMID 31846318 DOI: 10.1021/Acs.Analchem.9B04924 |
0.786 |
|
| 2019 |
Jora MZ, de Souza RN, Barbosa TM, Tormena CF, Sabadini E. Probing the formation of Wormlike Micelles formed by cationic surfactant with chlorobenzoate derivatives. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 31809055 DOI: 10.1021/Acs.Langmuir.9B02173 |
0.789 |
|
| 2019 |
Viesser RV, Tormena CF. Counterintuitive Deshielding on the C NMR Chemical Shift for the Trifluoromethyl Anion. Magnetic Resonance in Chemistry : Mrc. PMID 31705544 DOI: 10.1002/Mrc.4958 |
0.81 |
|
| 2019 |
Rodrigues Batista P, Karas LJ, Viesser RV, de Oliveira CC, Brown Gonçalves M, Tormena CF, Rittner R, Ducati LC, de Oliveira PR. Dealing With Hydrogen Bonding on the Conformational Preference of 1,3-Aminopropanols: Experimental and Molecular Dynamics Approaches. The Journal of Physical Chemistry. A. PMID 31517493 DOI: 10.1021/Acs.Jpca.9B05619 |
0.831 |
|
| 2019 |
Nepel A, Viesser RV, Tormena CF. Coupling in Benzaldehyde Derivatives: Ortho Substitution Effect. Acs Omega. 4: 1494-1503. PMID 31459414 DOI: 10.1021/acsomega.8b03035 |
0.829 |
|
| 2019 |
Salome KS, Tormena CF. Enantiodiscrimination by matrix-assisted DOSY NMR. Chemical Communications. 55: 8611-8614. PMID 31281910 DOI: 10.1039/C9Cc04268G |
0.8 |
|
| 2019 |
Santana FR, Luna-Dulcey L, Antunes VU, Tormena CF, Cominetti MR, Duarte MC, da Silva JA. Evaluation of the cytotoxicity on breast cancer cell of extracts and compounds isolated from (L.) poit. Natural Product Research. 1-8. PMID 31192696 DOI: 10.1080/14786419.2019.1628747 |
0.762 |
|
| 2019 |
Couto UR, Navarro-Vázquez A, Tormena CF. Unexpected behavior of the 3JCH coupling constant in unsaturated compounds Magnetic Resonance in Chemistry. 57: 939-945. PMID 31066094 DOI: 10.1002/Mrc.4885 |
0.811 |
|
| 2019 |
Zanatta M, Antunes VU, Tormena CF, Dupont J, Dos Santos FP. Dealing with supramolecular structure for ionic liquids: a DOSY NMR approach. Physical Chemistry Chemical Physics : Pccp. PMID 30657144 DOI: 10.1039/C8Cp07071G |
0.78 |
|
| 2018 |
Salome KS, Tormena CF. Revisiting the Long-Range Perlin Effect in a Conformationally Constrained Oxocane. The Journal of Organic Chemistry. PMID 30101591 DOI: 10.1021/Acs.Joc.8B00935 |
0.805 |
|
| 2018 |
Ali S, Milanezi H, Alves TMF, Tormena CF, Ferreira MAB. Cobalt-catalysed Stereoselective Synthesis of 2,5-trans-THF Nitrile Derivatives as a Platform for Diversification: Development and Mechanistic Studies. The Journal of Organic Chemistry. PMID 29878776 DOI: 10.1021/Acs.Joc.8B00575 |
0.357 |
|
| 2018 |
Silva WGDP, Tormena CF, Rittner R. Revealing the Conformational Preferences of Proteinogenic Glutamic Acid Derivatives in Solution by H NMR Spectroscopy and Theoretical Calculations. The Journal of Physical Chemistry. A. PMID 29664636 DOI: 10.1021/Acs.Jpca.8B02523 |
0.5 |
|
| 2018 |
V Viesser R, Ducati LC, Tormena CF, Autschbach J. The halogen effect on the C NMR chemical shift in substituted benzenes. Physical Chemistry Chemical Physics : Pccp. PMID 29632914 DOI: 10.1039/C8Cp01249K |
0.815 |
|
| 2018 |
Castañar L, Moutzouri P, Barbosa TM, Tormena CF, Rittner R, Phillips AR, Coombes SR, Nilsson M, Morris GA. FESTA: an efficient NMR approach for the structural analysis of mixtures containing fluorinated species. Analytical Chemistry. PMID 29578330 DOI: 10.1021/Acs.Analchem.8B00753 |
0.804 |
|
| 2018 |
Barbosa TM, Viesser RV, Martins LG, Rittner R, Tormena CF. The Antagonist Effect of Nitrogen Lone Pair: J versus J. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 29537688 DOI: 10.1002/Cphc.201800073 |
0.814 |
|
| 2017 |
Viesser RV, Ducati LC, Tormena CF, Autschbach J. The unexpected roles of σ and π orbitals in electron donor and acceptor group effects on the (13)C NMR chemical shifts in substituted benzenes. Chemical Science. 8: 6570-6576. PMID 28989684 DOI: 10.1039/C7Sc02163A |
0.816 |
|
| 2017 |
Karas LJ, Batista PR, Viesser RV, Tormena CF, Rittner R, de Oliveira PR. Trends of intramolecular hydrogen bonding in substituted alcohols: a deeper investigation. Physical Chemistry Chemical Physics : Pccp. PMID 28628184 DOI: 10.1039/C7Cp03572A |
0.821 |
|
| 2017 |
Barbosa TM, Morris GA, Nilsson M, Rittner R, Tormena CF. 1H and 19F NMR in drug stress testing: the case of voriconazole Rsc Advances. 7: 34000-34004. DOI: 10.1039/C7Ra03822D |
0.755 |
|
| 2016 |
Foroozandeh M, Castañar L, Martins LG, Sinnaeve D, Poggetto GD, Tormena CF, Adams RW, Morris GA, Nilsson M. Ultrahigh-Resolution Diffusion-Ordered Spectroscopy. Angewandte Chemie (International Ed. in English). PMID 27862747 DOI: 10.1002/Anie.201609676 |
0.785 |
|
| 2016 |
Okoromoba OE, Li Z, Robertson N, Mashuta MS, Couto UR, Tormena CF, Xu B, Hammond GB. Achieving regio- and stereo-control in the fluorination of aziridines under acidic conditions. Chemical Communications (Cambridge, England). PMID 27782265 DOI: 10.1039/C6Cc07855A |
0.773 |
|
| 2016 |
Dal Poggetto G, Antunes VU, Nilsson M, Morris GA, Tormena CF. (19) F NMR Matrix-Assisted DOSY: a versatile tool for differentiating fluorinated species in mixtures. Magnetic Resonance in Chemistry : Mrc. PMID 27682133 DOI: 10.1002/Mrc.4534 |
0.788 |
|
| 2016 |
Tormena CF. Conformational analysis of small molecules: NMR and quantum mechanics calculations. Progress in Nuclear Magnetic Resonance Spectroscopy. 96: 73-88. PMID 27573182 DOI: 10.1016/J.Pnmrs.2016.04.001 |
0.482 |
|
| 2016 |
Viesser RV, Ducati LC, Autschbach J, Tormena CF. NMR spin-spin coupling constants: bond angle dependence of the sign and magnitude of the vicinal (3)JHF coupling. Physical Chemistry Chemical Physics : Pccp. PMID 27526856 DOI: 10.1039/C6Cp04853F |
0.829 |
|
| 2016 |
Barbosa TM, Rittner R, Tormena CF, Morris GA, Nilsson M. Convection in liquid-state NMR: expect the unexpected Rsc Advances. 6: 95173-95176. DOI: 10.1039/C6Ra23427E |
0.755 |
|
| 2015 |
Abraham MH, Abraham RJ, Aliev AE, Tormena CF. Correction: Is there an intramolecular hydrogen bond in 2-halophenols? A theoretical and spectroscopic investigation. Physical Chemistry Chemical Physics : Pccp. 17: 26482. PMID 26378952 DOI: 10.1039/c5cp90167g |
0.629 |
|
| 2015 |
Abraham MH, Abraham RJ, Aliev AE, Tormena CF. Is there an intramolecular hydrogen bond in 2-halophenols? A theoretical and spectroscopic investigation. Physical Chemistry Chemical Physics : Pccp. 17: 25151-9. PMID 26352197 DOI: 10.1039/C5Cp04061B |
0.691 |
|
| 2015 |
Viesser RV, Ducati LC, Autschbach J, Tormena CF. Effects of stereoelectronic interactions on the relativistic spin-orbit and paramagnetic components of the (13)C NMR shielding tensors of dihaloethenes. Physical Chemistry Chemical Physics : Pccp. 17: 19315-24. PMID 26138131 DOI: 10.1039/C5Cp02026C |
0.828 |
|
| 2015 |
Barbosa TM, Viesser RV, Abraham RJ, Rittner R, Tormena CF. Experimental and theoretical evaluation of trans-3-halo-2-hydroxy-tetrahydropyran conformational preferences. Beyond anomeric interaction Rsc Advances. 5: 35412-35420. DOI: 10.1039/C5Ra04968G |
0.804 |
|
| 2014 |
Contreras RH, Llorente T, Ducati LC, Tormena CF. Revisiting NMR through-space J(FF) spin-spin coupling constants for getting insight into proximate F---F interactions. The Journal of Physical Chemistry. A. 118: 5068-75. PMID 24935717 DOI: 10.1021/Jp501929T |
0.795 |
|
| 2014 |
Solha DC, Barbosa TM, Viesser RV, Rittner R, Tormena CF. Experimental and theoretical studies of intramolecular hydrogen bonding in 3-hydroxytetrahydropyran: beyond AIM analysis. The Journal of Physical Chemistry. A. 118: 2794-800. PMID 24684251 DOI: 10.1021/Jp500211Y |
0.823 |
|
| 2014 |
Braga CB, Ducati LC, Tormena CF, Rittner R. Conformational analysis and intramolecular interactions of L-proline methyl ester and its N-acetylated derivative through spectroscopic and theoretical studies. The Journal of Physical Chemistry. A. 118: 1748-58. PMID 24533966 DOI: 10.1021/Jp5007632 |
0.83 |
|
| 2014 |
Dal Poggetto G, Favaro DC, Nilsson M, Morris GA, Tormena CF. 19F DOSY NMR analysis for spin systems with nJFF couplings. Magnetic Resonance in Chemistry : Mrc. 52: 172-7. PMID 24464558 DOI: 10.1002/Mrc.4047 |
0.804 |
|
| 2014 |
Cormanich RA, Ducati LC, Tormena CF, Rittner R. Phenylalanine and tyrosine methyl ester intramolecular interactions and conformational analysis by (1)H NMR and infrared spectroscopies and theoretical calculations. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 123: 482-9. PMID 24434201 DOI: 10.1016/J.Saa.2013.12.088 |
0.832 |
|
| 2014 |
Silla JM, Silva WG, Cormanich RA, Rittner R, Tormena CF, Freitas MP. Gauche preference of β-fluoroalkyl ammonium salts. The Journal of Physical Chemistry. A. 118: 503-7. PMID 24377652 DOI: 10.1021/Jp410458W |
0.676 |
|
| 2014 |
Uliana MP, Servilha BM, Alexopoulos O, de Oliveira KT, Tormena CF, Ferreira MAB, Brocksom TJ. The Diels-Alder reactions of para-benzoquinone nitrogen-derivatives: An experimental and theoretical study Tetrahedron. DOI: 10.1016/J.Tet.2014.07.088 |
0.303 |
|
| 2014 |
Schuquel IT, Ducati LC, Tormena CF, de Freitas MP, de Kowalewski DG, Rittner R. 13C NMR: nJCH and 1JCC scalar spin–spin coupling constants (SSCCs) for some 3-monosubstituted 2-methylpropenes Journal of Molecular Structure. 1068: 170-175. DOI: 10.1016/J.Molstruc.2014.04.008 |
0.811 |
|
| 2013 |
Ducati LC, Braga CB, Rittner R, Tormena CF. A critical evaluation of the s-cis-trans isomerism of 2-acetylpyrrole and its N-methyl derivative through infrared and NMR spectroscopies and theoretical calculations. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 116: 196-203. PMID 23933556 DOI: 10.1016/J.Saa.2013.07.024 |
0.823 |
|
| 2013 |
Favaro DC, Contreras RH, Tormena CF. Unusual through-space, TS, pathway for the transmission of J(FHf) coupling: 2-fluorobenzaldehyde study case. The Journal of Physical Chemistry. A. 117: 7939-45. PMID 23895141 DOI: 10.1021/Jp402618C |
0.788 |
|
| 2013 |
Favaro DC, Contreras RH, Tormena CF. The electronic origin of unusually large (n)J(FN) coupling constants in some fluoroximes. Magnetic Resonance in Chemistry : Mrc. 51: 334-8. PMID 23554215 DOI: 10.1002/Mrc.3950 |
0.77 |
|
| 2013 |
Rittner R, Ducati LC, Tormena CF, Cormanich RA, Fiorin BC, Braga CB, Abraham RJ. Studies on the s-cis-trans isomerism for some furan derivatives through IR and NMR spectroscopies and theoretical calculations. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 103: 84-9. PMID 23261606 DOI: 10.1016/J.Saa.2012.11.013 |
0.796 |
|
| 2013 |
Ferreira RB, Tormena CF, Almeida WP. Synthesis and spectroscopic analysis of substituted 2-aminothiazolines Journal of Molecular Structure. 1037: 186-190. DOI: 10.1016/J.Molstruc.2012.12.031 |
0.382 |
|
| 2013 |
Cormanich RA, Ducati LC, Tormena CF, Rittner R. A theoretical investigation of the dictating forces in small amino acid conformational preferences: The case of glycine, sarcosine and N,N-dimethylglycine Chemical Physics. 421: 32-38. DOI: 10.1016/J.Chemphys.2013.05.007 |
0.809 |
|
| 2013 |
Cormanich RA, Ducati LC, Tormena CF, Rittner R. A theoretical and experimental 1
H NMR spectroscopy study of the stereoelectronic interactions that rule the conformational energies of alanine and valine methyl ester Journal of Physical Organic Chemistry. 26: 849-857. DOI: 10.1002/Poc.3180 |
0.831 |
|
| 2012 |
Tormena CF, Evans R, Haiber S, Nilsson M, Morris GA. Matrix-assisted diffusion-ordered spectroscopy: application of surfactant solutions to the resolution of isomer spectra. Magnetic Resonance in Chemistry : Mrc. 50: 458-65. PMID 22549888 DOI: 10.1002/Mrc.3822 |
0.787 |
|
| 2012 |
Ducati LC, Contreras RH, Tormena CF. Unexpected geometrical effects on paramagnetic spin-orbit and spin-dipolar 2J(FF) couplings. The Journal of Physical Chemistry. A. 116: 4930-3. PMID 22533483 DOI: 10.1021/Jp301912X |
0.793 |
|
| 2012 |
Fonseca TA, Freitas MP, Cormanich RA, Ramalho TC, Tormena CF, Rittner R. Computational evidence for intramolecular hydrogen bonding and nonbonding X···O interactions in 2'-haloflavonols. Beilstein Journal of Organic Chemistry. 8: 112-7. PMID 22423278 DOI: 10.3762/Bjoc.8.12 |
0.69 |
|
| 2012 |
Abraham RJ, Leonard P, Tormena CF. (1) H NMR Spectra. Part 28: Proton chemical shifts and couplings in three-membered rings. A ring current model for cyclopropane and a novel dihedral angle dependence for (3) J(HH) couplings involving the epoxy proton. Magnetic Resonance in Chemistry : Mrc. 50: 305-13. PMID 22407746 DOI: 10.1002/Mrc.3808 |
0.716 |
|
| 2012 |
Freitas MP, Bühl M, O'Hagan D, Cormanich RA, Tormena CF. Stereoelectronic interactions and the one-bond C-F coupling constant in sevoflurane. The Journal of Physical Chemistry. A. 116: 1677-82. PMID 22233417 DOI: 10.1021/jp211949m |
0.709 |
|
| 2012 |
Cormanich RA, Freitas MP, Tormena CF, Rittner R. The F⋯HO intramolecular hydrogen bond forming five-membered rings hardly appear in monocyclic organofluorine compounds Rsc Advances. 2: 4169. DOI: 10.1039/C2Ra00039C |
0.689 |
|
| 2012 |
Moreira MA, Cormanich RA, de Rezende FM, Silla JM, Tormena CF, Rittner R, Ramalho TC, Freitas MP. Theoretical and infrared studies on the conformations of monofluorophenols Journal of Molecular Structure. 1009: 11-15. DOI: 10.1016/J.Molstruc.2011.05.012 |
0.703 |
|
| 2011 |
Cormanich RA, Moreira MA, Freitas MP, Ramalho TC, Anconi CP, Rittner R, Contreras RH, Tormena CF. 1hJFH coupling in 2-fluorophenol revisited: is intramolecular hydrogen bond responsible for this long-range coupling? Magnetic Resonance in Chemistry : Mrc. 49: 763-7. PMID 22095853 DOI: 10.1002/Mrc.2838 |
0.719 |
|
| 2011 |
Favaro DC, Ducati LC, dos Santos FP, Contreras RH, Tormena CF. Stereochemical dependence of 3JCH coupling constants in 2-substituted 4-t-butyl-cyclohexanone and their alcohol derivatives. The Journal of Physical Chemistry. A. 115: 14539-45. PMID 22060817 DOI: 10.1021/Jp2083456 |
0.817 |
|
| 2011 |
Silla JM, Cormanich RA, Duarte CJ, Freitas MP, Ramalho TC, Barbosa TM, Santos FP, Tormena CF, Rittner R. Alkyl group effect on the conformational isomerism of trans-2-bromoalkoxycyclohexanes analyzed by nmr spectroscopy and theoretical calculations. The Journal of Physical Chemistry. A. 115: 10122-7. PMID 21793564 DOI: 10.1021/Jp206136T |
0.827 |
|
| 2011 |
Silla JM, Duarte CJ, Freitas MP, Ramalho TC, Cormanich RA, Santos FP, Tormena CF, Rittner R. Theoretical and infrared studies on the conformational isomerism of trans-2-bromo-alkoxycyclohexanes. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 81: 359-62. PMID 21752701 DOI: 10.1016/J.Saa.2011.06.023 |
0.818 |
|
| 2011 |
Rittner R, Ducati LC, Tormena CF, Fiorin BC, Braga CB. Conformational preferences for some 5-substituted 2-acetylthiophenes through infrared spectroscopy and theoretical calculations. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 79: 1071-6. PMID 21620762 DOI: 10.1016/J.Saa.2011.04.021 |
0.819 |
|
| 2011 |
Anizelli PR, Favaro DC, Contreras RH, Tormena CF. Effect of electronic interactions on NMR 1J(CF) and 2J(CF) couplings in cis- and trans-4-t-butyl-2-fluorocyclohexanones and their alcohol derivatives. The Journal of Physical Chemistry. A. 115: 5684-92. PMID 21563802 DOI: 10.1021/Jp202592C |
0.817 |
|
| 2011 |
Vilcachagua JD, Ducati LC, Rittner R, Contreras RH, Tormena CF. Experimental, SOPPA(CCSD), and DFT analysis of substitutent effects on NMR 1JCF coupling constants in fluorobenzene derivatives. The Journal of Physical Chemistry. A. 115: 1272-9. PMID 21280628 DOI: 10.1021/Jp110290B |
0.808 |
|
| 2011 |
Ghiviriga I, Zhang L, Martinez H, Contreras RH, Tormena CF, Nodin L, Dolbier WR. 19F chemical shifts, coupling constants and conformational preferences in monosubstituted perfluoroparacyclophanes. Magnetic Resonance in Chemistry : Mrc. 49: 93-105. PMID 21246624 DOI: 10.1002/Mrc.2713 |
0.413 |
|
| 2011 |
Abraham RJ, Leonard P, Tormena CF. A 1H NMR and theoretical investigation of the conformations of some monosubstituted cyclobutanes. Magnetic Resonance in Chemistry : Mrc. 49: 23-9. PMID 21162138 DOI: 10.1002/Mrc.2705 |
0.743 |
|
| 2011 |
Campos PT, Machado P, Frizzo CP, Moreira DN, Meyer AR, Bonacorso HG, Zanatta N, Ducati LC, Rittner R, Tormena CF, Martins MAP. Structural investigations of 5-hydroxy-4,5-dihydroisoxazoles Journal of Molecular Structure. 1006: 462-468. DOI: 10.1016/J.Molstruc.2011.09.051 |
0.76 |
|
| 2010 |
Contreras RH, dos Santos FP, Ducati LC, Tormena CF. Difference between ²JC2H3 and ²JC3H2 spin-spin couplings in heterocyclic five- and six-membered rings as a probe for studying σ-ring currents: a quantum chemical analysis. Magnetic Resonance in Chemistry : Mrc. 48: S151-8. PMID 21104760 DOI: 10.1002/Mrc.2669 |
0.805 |
|
| 2010 |
Tormena CF, Evans R, Haiber S, Nilsson M, Morris GA. Matrix-assisted diffusion-ordered spectroscopy: mixture resolution by NMR using SDS micelles. Magnetic Resonance in Chemistry : Mrc. 48: 550-3. PMID 20540075 DOI: 10.1002/Mrc.2621 |
0.778 |
|
| 2010 |
Contreras RH, Gotelli G, Ducati LC, Barbosa TM, Tormena CF. Analysis of canonical molecular orbitals to identify fermi contact coupling pathways. 1. Through-space transmission by overlap of (31)P lone pairs. The Journal of Physical Chemistry. A. 114: 1044-51. PMID 19928769 DOI: 10.1021/Jp908970F |
0.807 |
|
| 2010 |
Coelho JV, Freitas MP, Ramalho TC, Martins CR, Bitencourt M, Cormanich RA, Tormena CF, Rittner R. The case of infrared carbonyl stretching intensities of 2-bromocyclohexanone: Conformational and intermolecular interaction insights Chemical Physics Letters. 494: 26-30. DOI: 10.1016/J.Cplett.2010.05.097 |
0.689 |
|
| 2009 |
Neto AC, Ducati LC, Rittner R, Tormena CF, Contreras RH, Frenking G. Heavy Halogen Atom Effect on (13)C NMR Chemical Shifts in Monohalo Derivatives of Cyclohexane and Pyran. Experimental and Theoretical Study. Journal of Chemical Theory and Computation. 5: 2222-8. PMID 26616608 DOI: 10.1021/Ct800520W |
0.817 |
|
| 2009 |
Contreras RH, Llorente T, Pagola GI, Bustamante MG, Pasqualini EE, Melo JI, Tormena CF. Qualitative study of substituent effects on NMR (15)N and (17)O chemical shifts. The Journal of Physical Chemistry. A. 113: 9874-80. PMID 19685922 DOI: 10.1021/Jp901926P |
0.415 |
|
| 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 |
0.808 |
|
| 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 |
0.708 |
|
| 2009 |
Martins CR, Ducati LC, Tormena CF, Rittner R. Conformational analysis of 2-halocyclopentanones by NMR and IR spectroscopies and theoretical calculations. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 72: 1089-96. PMID 19201255 DOI: 10.1016/J.Saa.2009.01.002 |
0.797 |
|
| 2009 |
Coelho JV, Freitas MP, Tormena CF, Rittner R. On the (4)J(HH) long-range coupling in 2-bromocyclohexanone: conformational insights. Magnetic Resonance in Chemistry : Mrc. 47: 348-51. PMID 19090496 DOI: 10.1002/Mrc.2385 |
0.441 |
|
| 2009 |
Contreras RH, Provasi PF, dos Santos FP, Tormena CF. Stereochemical dependence of NMR geminal spin-spin coupling constants. Magnetic Resonance in Chemistry : Mrc. 47: 113-20. PMID 18991325 DOI: 10.1002/Mrc.2359 |
0.444 |
|
| 2009 |
Olivato PR, Domingues NLC, Mondino MG, Tormena CF, Rittner R, Dal Colle M. Spectroscopic and theoretical studies of some N-methoxy-N-methyl-2-[(4′-substituted) phenylthio]propanamides Journal of Molecular Structure. 920: 393-400. DOI: 10.1016/J.Molstruc.2008.11.040 |
0.405 |
|
| 2008 |
Cunha Neto A, dos Santos FP, Contreras RH, Rittner R, Tormena CF. Analysis of the electronic origin of the 1JCH spin-spin coupling trend in 1-X-cyclopropanes: experimental and DFT study. The Journal of Physical Chemistry. A. 112: 11956-9. PMID 18950144 DOI: 10.1021/Jp8069805 |
0.448 |
|
| 2008 |
Anizelli PR, Vilcachagua JD, Neto AC, Tormena CF. Stereoelectronic interaction and their effects on conformational preference for 2-substituted methylenecyclohexane: an experimental and theoretical investigation. The Journal of Physical Chemistry. A. 112: 8785-9. PMID 18714949 DOI: 10.1021/Jp8048636 |
0.834 |
|
| 2008 |
Pedersoli S, Dos Santos FP, Rittner R, Contreras RH, Tormena CF. NMR spin-spin couplings involving nuclei in the neighborhood of a carbonyl group. 3JCH couplings in alpha-substituted acetamides. Magnetic Resonance in Chemistry : Mrc. 46: 202-5. PMID 18181244 DOI: 10.1002/Mrc.2158 |
0.45 |
|
| 2008 |
Dias LC, Ferreira MA, Tormena CF. Intra- and intermolecular hydrogen bonds in alkyl and silyl ethers: experimental and theoretical analysis. The Journal of Physical Chemistry. A. 112: 232-7. PMID 18154324 DOI: 10.1021/Jp709601W |
0.392 |
|
| 2008 |
dos Santos FP, Tormena CF, Contreras RH, Rittner R, Magalhães A. The effect of carbonyl group in the asymmetry of 3,4JCH coupling constants in norbornanones. Magnetic Resonance in Chemistry : Mrc. 46: 107-9. PMID 18092306 DOI: 10.1002/Mrc.2154 |
0.448 |
|
| 2008 |
Ducati LC, Freitas MP, Tormena CF, Rittner R. The case of intramolecular hydrogen bonding, hyperconjugation and classical effects on the conformational isomerism of substituted carbonyl and thiocarbonyl compounds Journal of Molecular Structure: Theochem. 851: 147-157. DOI: 10.1016/J.Theochem.2007.11.007 |
0.809 |
|
| 2008 |
Reis AKCA, Olivato PR, Tormena CF, Rittner R, Colle MD. Conformational and electronic interaction studies of some p-substituted α-methylsulfonyl-α-diethoxyphosphorylacetophenones Journal of Molecular Structure. 892: 300-304. DOI: 10.1016/J.Molstruc.2008.05.055 |
0.339 |
|
| 2008 |
Pedersoli S, Tormena CF, Santos FPd, Contreras RH, Rittner R. Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides Journal of Molecular Structure. 891: 508-513. DOI: 10.1016/J.Molstruc.2008.04.040 |
0.356 |
|
| 2008 |
Pedersoli S, Tormena CF, Rittner R. Solvent effects in the conformational stability of α-substituted acetamides through theoretical and experimental data Journal of Molecular Structure. 875: 235-243. DOI: 10.1016/J.Molstruc.2007.04.037 |
0.484 |
|
| 2008 |
Neto AC, Santos FPd, Paula AS, Tormena CF, Rittner R. Density functionals for calculating NMR 1JCH coupling constants in electron-rich systems Chemical Physics Letters. 454: 129-132. DOI: 10.1016/J.Cplett.2008.01.052 |
0.373 |
|
| 2008 |
Freitas MP, Rittner R, Tormena CF, Abraham RJ. The role of stereoelectronic interactions in the conformational isomerism of some phosphorus-containing model compounds Journal of Physical Organic Chemistry. 21: 505-509. DOI: 10.1002/Poc.1372 |
0.743 |
|
| 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 |
0.693 |
|
| 2007 |
Contreras RH, Esteban AL, Díez E, Lochert IJ, Della EW, Tormena CF. Experimental and DFT studies on the transmission mechanisms of analogous NMR JCH and JCC couplings in 1-X- and 1-X-3-methylbicyclo[1.1.1]-pentanes. Magnetic Resonance in Chemistry : Mrc. 45: 572-7. PMID 17534878 DOI: 10.1002/Mrc.2009 |
0.431 |
|
| 2007 |
Tormena CF, Vilcachagua JD, Karcher V, Rittner R, Contreras RH. Experimental and theoretical investigation of NMR 2JHH coupling constant on six-membered ring systems containing oxygen or sulfur atoms. Magnetic Resonance in Chemistry : Mrc. 45: 590-4. PMID 17534874 DOI: 10.1002/Mrc.2014 |
0.441 |
|
| 2007 |
Silva VL, Carvalho R, Freitas MP, Tormena CF, Melo WC. Structural determination of Zn and Cd-DTPA complexes: MS, infrared, (13)C NMR and theoretical investigation. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 68: 1197-200. PMID 17395531 DOI: 10.1016/J.Saa.2007.01.020 |
0.319 |
|
| 2007 |
Tormena CF, Santos FP, Neto AC, Rittner R, Yoshinaga F, Temistocles JC. Electronic interactions and their influence on the conformational stability of trans-2-halocyclopentanol. The Journal of Physical Chemistry. A. 111: 295-8. PMID 17214467 DOI: 10.1021/Jp066026F |
0.505 |
|
| 2007 |
Santos FPd, Ducati LC, Tormena CF, Rittner R. Efeito das interações hiperconjugativas na constante de acoplamento ¹J CH da hexametilenotetramina e do adamantano: estudo teórico e experimental QuíMica Nova. 30: 1681-1685. DOI: 10.1590/S0100-40422007000700035 |
0.794 |
|
| 2007 |
Lacerda V, Constantino MG, da Silva GVJ, Neto AC, Tormena CF. NMR and theoretical investigation of the keto-enol tautomerism in cyclohexane-1,3-diones Journal of Molecular Structure. 828: 54-58. DOI: 10.1016/J.Molstruc.2006.05.036 |
0.348 |
|
| 2007 |
Silva VL, Carvalho R, Freitas MP, Tormena CF, Melo WC. Spectrometric and theoretical investigation of the structures of Cu and Pb/DTPA complexes Structural Chemistry. 18: 605-609. DOI: 10.1007/S11224-007-9192-8 |
0.314 |
|
| 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 |
0.71 |
|
| 2006 |
Contreras RH, Esteban AL, Díez E, Della EW, Lochert IJ, Dos Santos FP, Tormena CF. Experimental and theoretical study of hyperconjugative interaction effects on NMR 1J(CH) scalar couplings. The Journal of Physical Chemistry. A. 110: 4266-75. PMID 16553380 DOI: 10.1021/Jp0555201 |
0.39 |
|
| 2006 |
Tormena CF, Yoshinaga F, Doi TR, Rittner R. Conformational preferences and orbital interactions for methyl haloacetates. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 63: 511-7. PMID 16359914 DOI: 10.1016/J.Saa.2005.05.014 |
0.448 |
|
| 2006 |
Lacerda V, da Silva GV, Constantino MG, Tormena CF, Williamson RT, Marquez BL. Long-range J(CH) heteronuclear coupling constants in cyclopentane derivatives. Magnetic Resonance in Chemistry : Mrc. 44: 95-8. PMID 16281189 DOI: 10.1002/Mrc.1723 |
0.362 |
|
| 2006 |
Santos FPd, Tormena CF. Orbital interactions and their effects on the conformational stability in six-membered rings containing nitrogen atoms Journal of Molecular Structure-Theochem. 763: 145-148. DOI: 10.1016/J.Theochem.2006.01.021 |
0.395 |
|
| 2006 |
Ducati LC, Freitas MP, Tormena CF, Rittner R. Conformational and stereoelectronic investigation of chloromethyl methyl sulfide and its sulfinyl and sulfonyl analogs Journal of Molecular Structure. 800: 45-50. DOI: 10.1016/J.Molstruc.2006.03.085 |
0.815 |
|
| 2006 |
Reis AKCA, Olivato PR, Zukerman-Schpector J, Tormena CF, Rittner R, Domingues NLC, Dal Colle M. Spectroscopic and theoretical studies of some p-substituted α-methylthio-α-diethoxyphosphorylacetophenones Journal of Molecular Structure. 798: 57-63. DOI: 10.1016/J.Molstruc.2006.03.054 |
0.428 |
|
| 2006 |
Sega EM, Tormena CF, Oliveira PRd, Rittner R, Tinoco LW, Figueroa-Villar JD, Höehr NF. Solvent effects in the 2JHH, 3JHH, 1JNC and 2JNC coupling constants in the NMR spectrum of acetylcholine chloride Journal of Molecular Structure. 797: 44-48. DOI: 10.1016/J.Molstruc.2006.03.012 |
0.451 |
|
| 2006 |
Sairre MI, Bronze-Uhle ES, Donate PM, Tormena CF. Conformational influence on intramolecular cyclization for a β-ketoester containing oxirane ring: A theoretical and experimental study Journal of Molecular Structure. 794: 221-224. DOI: 10.1016/J.Molstruc.2006.02.017 |
0.415 |
|
| 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 |
0.687 |
|
| 2005 |
Tormena CF, Dias LC, Rittner R. Orbital interactions and their effects on 13C NMR chemical shifts for 4,6-disubstituted-2,2-dimethyl-1,3-dioxanes. A theoretical study. The Journal of Physical Chemistry. A. 109: 6077-82. PMID 16833944 DOI: 10.1021/Jp052048A |
0.412 |
|
| 2005 |
Doi TR, Yoshinaga F, Tormena CF, Rittner R, Abraham RJ. 13C NMR, infrared, solvation and theoretical investigation of the conformational isomerism in 1-haloacetones (X = Cl, Br and I). Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 61: 2221-30. PMID 15911415 DOI: 10.1016/J.Saa.2004.08.021 |
0.689 |
|
| 2005 |
Freitas MP, Rittner R, Tormena CF, Abraham RJ. Conformational analysis and stereoelectronic effects in trans-1,2-dihalocyclohexanes: 1H NMR and theoretical investigation. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 61: 1771-6. PMID 15863046 DOI: 10.1016/J.Saa.2004.07.007 |
0.76 |
|
| 2005 |
Olivato PR, Reis AKCA, Rodrigues A, Zukerman-Schpector J, Tormena CF, Dal Colle M. Stereochemical and electronic interaction studies of some meta- and para-substituted α-methylsulfinyl-α-diethoxyphosphoryl acetophenones Phosphorus, Sulfur and Silicon and the Related Elements. 180: 1427-1428. DOI: 10.1080/10426500590912844 |
0.363 |
|
| 2005 |
Martins CR, Rittner R, Tormena CF. Conformational preferences for N,N-dimethyl-2-haloacetamides (halo=F, Cl, Br and I) through theoretical and experimental studies: An unexpected orbital interaction Journal of Molecular Structure-Theochem. 728: 79-84. DOI: 10.1016/J.Theochem.2005.04.033 |
0.418 |
|
| 2005 |
Freitas MP, Tormena CF, Rittner R, Abraham RJ. Conformational properties of trans-2-halo-acetoxycyclohexanes: 1H NMR, solvation and theoretical investigation Journal of Molecular Structure. 734: 211-217. DOI: 10.1016/J.Molstruc.2004.08.017 |
0.747 |
|
| 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 |
0.719 |
|
| 2004 |
Tormena CF, Freitas MP, Rittner R, Abraham RJ. Conformational behaviour of methyl 2-fluoroesters through theoretical calculations, NMR and IR spectroscopy Physical Chemistry Chemical Physics. 6: 1152-1156. DOI: 10.1039/B311570D |
0.735 |
|
| 2004 |
Tormena CF, Rittner R, Contreras RH, Peralta JE. Anomeric Effect on Geminal and Vicinal JHH NMR Coupling Constants Journal of Physical Chemistry A. 108: 7762-7768. DOI: 10.1021/Jp047226Z |
0.461 |
|
| 2004 |
Tormena CF, Freitas MP, Rittner R, Abraham RJ. Theoretical and Infrared Investigation of the Conformations of 1,3-Dihaloacetones Journal of Physical Chemistry A. 108: 5161-5168. DOI: 10.1021/Jp030864H |
0.701 |
|
| 2004 |
Tormena CF, Silva GVJd. Chemical shifts calculations on aromatic systems: a comparison of models and basis sets Chemical Physics Letters. 398: 466-470. DOI: 10.1016/J.Cplett.2004.09.103 |
0.406 |
|
| 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 |
0.801 |
|
| 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 |
0.705 |
|
| 2003 |
Freitas MP, Tormena CF, Rittner R, Abraham RJ. The utility of infrared spectroscopy for quantitative conformational analysis at a single temperature. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 59: 1783-9. PMID 12736064 DOI: 10.1016/S1386-1425(02)00436-5 |
0.695 |
|
| 2003 |
Freitas MP, Tormena CF, Rittner R. Infrared spectroscopy and theoretical calculations as tools for the conformational analysis of 2-methoxycyclohexanone. Spectrochimica Acta Part a: Molecular and Biomolecular Spectroscopy. 59: 1177-1182. PMID 12659886 DOI: 10.1016/S1386-1425(02)00316-5 |
0.455 |
|
| 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 |
0.818 |
|
| 2003 |
Freitas MP, Tormena CF, Rittner R, Abraham RJ. Conformational analysis of trans-2-halocyclohexanols and their methyl ethers: a 1H NMR, theoretical and solvation approach Journal of Physical Organic Chemistry. 16: 27-33. DOI: 10.1002/Poc.565 |
0.729 |
|
| 2002 |
Yoshinaga F, Tormena CF, Freitas MP, Rittner R, Abraham RJ. Conformational analysis of 2-halocyclohexanones: an NMR, theoretical and solvation study Journal of the Chemical Society-Perkin Transactions 1. 1494-1498. DOI: 10.1039/B204635K |
0.732 |
|
| 2002 |
Tormena CF, Amadeu NS, Rittner R, Abraham RJ. Conformational analysis in N-methylfluoroamides. A theoretical, NMR and IR investigation Journal of the Chemical Society-Perkin Transactions 1. 773-778. DOI: 10.1039/B111048A |
0.732 |
|
| 2002 |
Freitas MP, Tormena CF, Luı́zar C, Ferreira MMC, Rittner R. Substituent interactions in trans-2-substituted methoxycyclohexanes: an explanation to the conformational behaviour in a chemometric and theoretical view Journal of Molecular Structure-Theochem. 618: 219-224. DOI: 10.1016/S0166-1280(02)00414-1 |
0.45 |
|
| 2002 |
Freitas MP, Tormena CF, Oliveira PR, Rittner R. Halogenated six-membered rings: a theoretical approach for substituent effects in conformational analysis Journal of Molecular Structure-Theochem. 589: 147-151. DOI: 10.1016/S0166-1280(02)00256-7 |
0.451 |
|
| 2002 |
Olivato PR, Guerrero SA, Yreijo MH, Rittner R, Tormena CF. Conformational and electronic interaction studies of 2-fluoro-substituted N,N-dimethylacetamides Journal of Molecular Structure. 607: 87-99. DOI: 10.1016/S0022-2860(01)00761-X |
0.397 |
|
| 2002 |
Tormena CF, Rittner R, Abraham RJ. An NMR, IR and theoretical investigation of the methyl effect on conformational isomerism in 3-fluoro-3-methyl-2-butanone and 1-fluoro-3,3-dimethyl-2-butanone Journal of Physical Organic Chemistry. 15: 211-217. DOI: 10.1002/Poc.471 |
0.713 |
|
| 2002 |
Tormena CF, Freitas MP, Rittner R, Abraham RJ. A 1H NMR and molecular modelling investigation of diastereotopic methylene hydrogen atoms Magnetic Resonance in Chemistry. 40: 279-283. DOI: 10.1002/Mrc.1011 |
0.695 |
|
| 2001 |
Freitas MP, Tormena CF, Rittner R. Interaction in trans-2-halocyclohexanols — an infrared and theoretical study Journal of Molecular Structure. 570: 175-180. DOI: 10.1016/S0022-2860(01)00482-3 |
0.427 |
|
| 2001 |
Freitas MP, Rittner R, Tormena CF, Abraham RJ. Conformational analysis of 2‐bromocyclohexanone. A combined NMR, IR, solvation and theoretical approach Journal of Physical Organic Chemistry. 14: 317-322. DOI: 10.1002/Poc.373 |
0.733 |
|
| 2000 |
Tormena CF, Rittner R, Abraham RJ, Basso EA, Pontes RM. Conformational analysis. Part 33. An NMR, solvation and theoretical investigation of conformational isomerism in N,N-dimethylfluoroacetamide and N,N-dimethyl-α-fluoropropionamide Journal of the Chemical Society-Perkin Transactions 1. 2054-2059. DOI: 10.1039/B004685J |
0.696 |
|
| 1999 |
Abraham RJ, Tormena CF, Rittner R. Conformational analysis, Part 32.† NMR, solvation and theoretical investigation of conformational isomerism in 3-fluorobutan-2-one and 3,3-difluorobutan-2-one Journal of the Chemical Society-Perkin Transactions 1. 1663-1668. DOI: 10.1039/A903161H |
0.714 |
|
| 1996 |
Abraham RJ, Jones AD, Warne MA, Rittner R, Tormena CF. Conformational Analysis. Part 27. Nmr, Solvation And Theoretical Investigation Of Conformational Isomerism In Fluoro- And 1,1-Difluoro-Acetone Journal of the Chemical Society-Perkin Transactions 1. 533-539. DOI: 10.1039/P29960000533 |
0.732 |
|
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