| Year |
Citation |
Score |
| 2024 |
He M, Piscelli BA, Cormanich RA, O'Hagan D. Conformational Analysis Explores the Role of Electrostatic Nonclassical CF···HC Hydrogen Bonding Interactions in Selectively Halogenated Cyclohexanes. The Journal of Organic Chemistry. 89: 4009-4018. PMID 38441063 DOI: 10.1021/acs.joc.3c02868 |
0.45 |
|
| 2023 |
Cariello G, Zeoly LA, Piscelli BA, Lectka T, Cormanich RA. The pitfalls of using spin-spin coupling constants to infer hydrogen bond formation in organofluorine compounds. Chemical Communications (Cambridge, England). PMID 37987509 DOI: 10.1039/d3cc05389j |
0.309 |
|
| 2023 |
Dobson LS, Zhang Q, McKay BA, Oke O, Isanbor C, Khan MF, Piscelli BA, Cordes DB, Cormanich RA, Murphy CD, O'Hagan D. Aryl (β,β',β″-Trifluoro)--butyl: A Candidate Motif for the Discovery of Bioactives. Organic Letters. PMID 37682007 DOI: 10.1021/acs.orglett.3c02236 |
0.43 |
|
| 2023 |
Piscelli BA, O'Hagan D, Cormanich RA. Contribution of Hyperconjugation and Inductive Effects to the -anomeric Effect in 4-Substituted Methoxycyclohexanes. The Journal of Physical Chemistry. A. 127: 724-728. PMID 36649066 DOI: 10.1021/acs.jpca.2c08090 |
0.558 |
|
| 2022 |
Yu C, Piscelli BA, Maharik NA, Cordes DB, Slawin AMZ, Cormanich RA, O'Hagan D. Unexpected triaxial preferences in some all- 1,3,5-trifluorocyclohexanes. Chemical Communications (Cambridge, England). PMID 36317533 DOI: 10.1039/d2cc05058g |
0.575 |
|
| 2022 |
Poskin TJ, Piscelli BA, Yoshida K, Cordes DB, Slawin AMZ, Cormanich RA, Yamada S, O'Hagan D. Janus faced fluorocyclohexanes for supramolecular assembly: synthesis and solid state structures of equatorial mono-, di- and tri alkylated cyclohexanes and with tri-axial C-F bonds to impart polarity. Chemical Communications (Cambridge, England). PMID 35758098 DOI: 10.1039/d2cc03010a |
0.536 |
|
| 2021 |
Clark JL, Taylor A, Geddis A, Neyyappadath RM, Piscelli BA, Yu C, Cordes DB, Slawin AMZ, Cormanich RA, Guldin S, O'Hagan D. Supramolecular packing of alkyl substituted Janus face all- 2,3,4,5,6-pentafluorocyclohexyl motifs. Chemical Science. 12: 9712-9719. PMID 34349942 DOI: 10.1039/d1sc02130c |
0.573 |
|
| 2021 |
Port VC, Cormanich RA. There and back again: the role of hyperconjugation in the fluorine effect. Physical Chemistry Chemical Physics : Pccp. PMID 34346435 DOI: 10.1039/d1cp02806e |
0.396 |
|
| 2021 |
Piscelli BA, O'Hagan D, Cormanich RA. The contribution of non-classical CHOC hydrogen bonds to the anomeric effect in fluoro and oxa-methoxycyclohexanes. Physical Chemistry Chemical Physics : Pccp. PMID 33688868 DOI: 10.1039/d0cp06646j |
0.588 |
|
| 2021 |
Port VC, Zeoly LA, Coelho F, Cormanich RA. Through space spin-spin coupling constant transmission pathways in 2-(trifluoromethyl)thiophenol: formation of unusual stabilizing bifurcated CFHS and CFSH interactions. Physical Chemistry Chemical Physics : Pccp. PMID 33646206 DOI: 10.1039/d0cp05887d |
0.384 |
|
| 2021 |
Vendramini PH, Zeoly LA, Cormanich RA, Buehl M, Eberlin MN, Ferreira BRV. Unveiling the mechanism of N-methylation of indole with dimethylcarbonate using either DABCO or DBU as catalyst. Journal of Mass Spectrometry : Jms. 56: e4707. PMID 33590578 DOI: 10.1002/jms.4707 |
0.629 |
|
| 2020 |
Afonso MAS, Cormanich RA. The preferred geometry of hydroperoxides is the result of an interplay between electrostatic and hyperconjugative effects. Physical Chemistry Chemical Physics : Pccp. PMID 33226044 DOI: 10.1039/d0cp04688d |
0.433 |
|
| 2020 |
Cormanich RA, Zeoly LA, Santos H, Camilo NS, Bühl M, Coelho F. On the Origin of the Diastereoselectivity of the Heterogeneous Hydrogenation of a Substituted Indolizine. The Journal of Organic Chemistry. PMID 32786618 DOI: 10.1021/Acs.Joc.0C01338 |
0.443 |
|
| 2020 |
Silva DR, Zeoly LA, Cormanich RA, Guerra CF, Freitas MP. Evaluation of the Alicyclic Gauche
Effect in 2-Fluorocyclohexanone Analogs: a Combined NMR and DFT Study European Journal of Organic Chemistry. 2020: 884-890. DOI: 10.1002/Ejoc.201901815 |
0.521 |
|
| 2020 |
Simões LH, Cormanich RA. Stereoelectronic Effects in Multivicinal Fluoroalkanes and Conformational Implications European Journal of Organic Chemistry. 2020: 501-505. DOI: 10.1002/Ejoc.201901780 |
0.436 |
|
| 2019 |
Zeoly LA, Coelho F, Cormanich RA. Intramolecular H-Bond Is Formed in 2-Fluorophenol and 2-Fluorothiophenol, but It May Not Be the Main Pathway of the Coupling Constant Transmission. The Journal of Physical Chemistry. A. PMID 31661281 DOI: 10.1021/Acs.Jpca.9B07970 |
0.5 |
|
| 2019 |
Andrade LAF, Zeoly LA, Cormanich RA, Freitas MP. Conformational signature of Ishikawa´s reagent using NMR information from diastereotopic fluorines. Beilstein Journal of Organic Chemistry. 15: 506-512. PMID 30873234 DOI: 10.3762/Bjoc.15.44 |
0.529 |
|
| 2018 |
Ahmed L, Zhang Y, Block E, Buehl M, Corr MJ, Cormanich RA, Gundala S, Matsunami H, O'Hagan D, Ozbil M, Pan Y, Sekharan S, Ten N, Wang M, Yang M, et al. Molecular mechanism of activation of human musk receptors OR5AN1 and OR1A1 by ()-muscone and diverse other musk-smelling compounds. Proceedings of the National Academy of Sciences of the United States of America. PMID 29632183 DOI: 10.1073/Pnas.1713026115 |
0.748 |
|
| 2018 |
Martins FA, Zeoly LA, Cormanich RA, Freitas MP. Solution conformations for the flexible 1-chloro-1,1-difluoro-2-pentanol unveiled using multinuclear magnetic resonance Tetrahedron. 74: 880-883. DOI: 10.1016/J.Tet.2018.01.008 |
0.557 |
|
| 2018 |
Mendonça JG, Fernandes SA, Cormanich RA, Freitas MP. Anion effect on the conformational equilibrium of sulfamide and its N,N′
-diindolyl derivative: Insights on anion transportation Journal of Physical Organic Chemistry. 31: e3850. DOI: 10.1002/Poc.3850 |
0.371 |
|
| 2017 |
Andrade LAF, Silla JM, Cormanich RA, Freitas MP. Infrared fingerprints of nΝ → σ*NH hyperconjugation in hydrazides. The Journal of Organic Chemistry. PMID 29058903 DOI: 10.1021/Acs.Joc.7B01985 |
0.455 |
|
| 2017 |
Cormanich RA, O'Hagan D, Bühl M. Hyperconjugation is the Source of Helicity in Perfluorinated n-Alkanes. Angewandte Chemie (International Ed. in English). PMID 28561937 DOI: 10.1002/Anie.201704112 |
0.595 |
|
| 2016 |
Mendonça JGP, Silla JM, Andrade LA, Fernandes SA, Cormanich RA, Freitas MP. Theoretical and NMR experimental insights on urea, thiourea and diindolyurea as fluoride carriers Journal of Molecular Structure. 1114: 13-20. DOI: 10.1016/J.Molstruc.2016.02.052 |
0.422 |
|
| 2016 |
Silva WG, Silla JM, Cormanich RA, Fernandes SA, Freitas MP. The role of nonbonding interactions and the presence of fluoride on the conformational isomerism of 1,2-ethanediol Chemical Physics. 473: 17-23. DOI: 10.1016/J.Chemphys.2016.04.018 |
0.586 |
|
| 2015 |
Corr MJ, Cormanich RA, von Hahmann CN, Bühl M, Cordes DB, Slawin AM, O'Hagan D. Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones. Organic & Biomolecular Chemistry. PMID 26584449 DOI: 10.1039/C5Ob02023A |
0.585 |
|
| 2015 |
Cormanich RA, Keddie NS, Rittner R, O'Hagan D, Bühl M. Particularly strong C-Hπ interactions between benzene and all-cis 1,2,3,4,5,6-hexafluorocyclohexane. Physical Chemistry Chemical Physics : Pccp. 17: 29475-8. PMID 26507700 DOI: 10.1039/C5Cp04537A |
0.614 |
|
| 2015 |
Cormanich RA, Bühl M, Rittner R. Understanding the conformational behaviour of Ac-Ala-NHMe in different media. A joint NMR and DFT study. Organic & Biomolecular Chemistry. 13: 9206-13. PMID 26219244 DOI: 10.1039/C5Ob01296A |
0.55 |
|
| 2015 |
Cormanich RA, Rittner R, O'Hagan D, Bühl M. Inter- and intramolecular CF···co interactions on aliphatic and cyclohexane carbonyl derivatives. Journal of Computational Chemistry. PMID 25903504 DOI: 10.1002/Jcc.23918 |
0.624 |
|
| 2015 |
Bello D, Cormanich RA, O'Hagan D. Fluorovinyl Thioethers as Putative Steric and Electronic Thioester Enolate Mimetics: Chemoselective HF Addition to Acetylene Thioethers Australian Journal of Chemistry. 68: 72. DOI: 10.1071/Ch14298 |
0.565 |
|
| 2015 |
Cormanich RA, Rittner R, Bühl M. Conformational preferences of Ac-Gly-NHMe in solution Rsc Advances. 5: 13052-13060. DOI: 10.1039/C4Ra16472E |
0.465 |
|
| 2014 |
Cormanich RA, Rittner R, O'Hagan D, Bühl M. Analysis of CF···FC interactions on cyclohexane and naphthalene frameworks. The Journal of Physical Chemistry. A. 118: 7901-10. PMID 25127203 DOI: 10.1021/Jp504568C |
0.541 |
|
| 2014 |
Cormanich RA, Rittner R, Freitas MP, Bühl M. The seeming lack of CF···HO intramolecular hydrogen bonds in linear aliphatic fluoroalcohols in solution. Physical Chemistry Chemical Physics : Pccp. 16: 19212-7. PMID 25096849 DOI: 10.1039/C4Cp02463J |
0.493 |
|
| 2014 |
Silla JM, Cormanich RA, Rittner R, Freitas MP. Does intramolecular hydrogen bond play a key role in the stereochemistry of α- and β-D-glucose? Carbohydrate Research. 396: 9-13. PMID 25079595 DOI: 10.1016/J.Carres.2014.06.013 |
0.454 |
|
| 2014 |
Silla JM, Freitas MP, Cormanich RA, Rittner R. The reverse fluorine Perlin-like effect and related stereoelectronic interactions. The Journal of Organic Chemistry. 79: 6385-8. PMID 24904955 DOI: 10.1021/Jo501025A |
0.368 |
|
| 2014 |
Silla JM, Duarte CJ, Cormanich RA, Rittner R, Freitas MP. Conformational analysis of 2,2-difluoroethylamine hydrochloride: double gauche effect. Beilstein Journal of Organic Chemistry. 10: 877-82. PMID 24778743 DOI: 10.3762/Bjoc.10.84 |
0.797 |
|
| 2014 |
Durie AJ, Fujiwara T, Cormanich R, Bühl M, Slawin AM, O'Hagan D. Synthesis and elaboration of all-cis-1,2,4,5-tetrafluoro-3-phenylcyclohexane: a polar cyclohexane motif. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 6259-63. PMID 24740763 DOI: 10.1002/Chem.201400354 |
0.631 |
|
| 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 |
0.797 |
|
| 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 |
0.641 |
|
| 2014 |
Cormanich RA, Santiago RT, La Porta FA, Freitas MP, Rittner R, da Cunha EF, Andres J, Longo E, Ramalho TC. Quantum chemical topological analysis of hydrogen bonding in HX…HX and CH3X…HX dimers (X = Br, Cl, F) Molecular Simulation. 41: 600-609. DOI: 10.1080/08927022.2014.904514 |
0.427 |
|
| 2014 |
Cormanich RA, Durie A, Bjornsson R, Rittner R, O'Hagan D, Bühl M. Density Functional Study of Interactions between Fluorinated Cyclohexanes and Arenes Helvetica Chimica Acta. 97: 797-807. DOI: 10.1002/Hlca.201400049 |
0.491 |
|
| 2013 |
Silla JM, Cormanich RA, Rittner R, Freitas MP. Conformational analysis and intramolecular interactions in monosubstituted phenylboranes and phenylboronic acids. Beilstein Journal of Organic Chemistry. 9: 1127-34. PMID 23843904 DOI: 10.3762/Bjoc.9.125 |
0.532 |
|
| 2013 |
Silla JM, Cormanich RA, Rittner R, Freitas MP. Conformational analysis and intramolecular interactions in aminofluorobenzoic acids. The Journal of Physical Chemistry. A. 117: 1659-64. PMID 23360071 DOI: 10.1021/Jp311791G |
0.544 |
|
| 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 |
0.754 |
|
| 2013 |
Duarte CJ, Cormanich RA, Ducati LC, Rittner R. 1H NMR and theoretical studies on the conformational equilibrium of tryptophan methyl ester Journal of Molecular Structure. 1050: 174-179. DOI: 10.1016/J.Molstruc.2013.07.024 |
0.782 |
|
| 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 |
0.769 |
|
| 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 |
0.794 |
|
| 2012 |
de Rezende FM, Moreira MA, Cormanich RA, Freitas MP. Conformational analysis, stereoelectronic interactions and NMR properties of 2-fluorobicyclo[2.2.1]heptan-7-ols. Beilstein Journal of Organic Chemistry. 8: 1227-32. PMID 23019452 DOI: 10.3762/Bjoc.8.137 |
0.513 |
|
| 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 |
0.695 |
|
| 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 |
0.744 |
|
| 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 |
0.676 |
|
| 2012 |
Cormanich RA, Ducati LC, Rittner R. The lack of intramolecular hydrogen bonding and the side chain effect in alanine conformers Journal of Molecular Structure. 1014: 12-16. DOI: 10.1016/J.Molstruc.2012.01.047 |
0.758 |
|
| 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 |
0.695 |
|
| 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 |
0.637 |
|
| 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 |
0.77 |
|
| 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 |
0.787 |
|
| 2011 |
Cormanich RA, Freitas MP, Rittner R. 2D Chemical Drawings Correlate to Bioactivities: MIA-QSAR Modelling of Antimalarial Activities of 2,5-Diaminobenzophenone Derivatives Journal of the Brazilian Chemical Society. 22: 637-642. DOI: 10.1590/S0103-50532011000400004 |
0.301 |
|
| 2011 |
Cormanich RA, Ducati LC, Rittner R. Are hydrogen bonds responsible for glycine conformational preferences? Chemical Physics. 387: 85-91. DOI: 10.1016/J.CHEMPHYS.2011.07.006 |
0.685 |
|
| 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 |
0.672 |
|
| 2009 |
Cormanich RA, Freitas MP. A theoretical view on the conformer stabilization of butane. The Journal of Organic Chemistry. 74: 8384-7. PMID 19799397 DOI: 10.1021/Jo901705P |
0.489 |
|
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