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1

Analysis of CF···FC Interactions on Cyclohexane and Naphthalene Frameworks

Cormanich, Rodrigo A., Rittner, Roberto, O’Hagan, David, Bühl, Michael

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 552 KB

english, 2014

2

Stereoelectronic Interactions and the One-Bond C–F Coupling Constant in Sevoflurane

Freitas, Matheus P., Bühl, Michael, O’Hagan, David, Cormanich, Rodrigo A., Tormena, Cláudio F.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.51 MB

english, 2012

3

Inter- and intramolecular CF···co interactions on aliphatic and cyclohexane carbonyl derivatives

Cormanich, Rodrigo A., Rittner, Roberto, O'Hagan, David, Bühl, Michael

Journal:

Journal of Computational Chemistry

Year:

2015

Language:

english

File:

PDF, 788 KB

english, 2015

4

The F⋯HO intramolecular hydrogen bond forming five-membered rings hardly appear in monocyclic organofluorine compounds

Cormanich, Rodrigo A., Freitas, Matheus P., Tormena, Cláudio F., Rittner, Roberto

Journal:

Year:

2012

Language:

english

File:

PDF, 589 KB

english, 2012

5

Synthesis and Elaboration of All- cis -1,2,4,5-Tetrafluoro-3-Phenylcyclohexane: A Polar Cyclohexane Motif

Durie, Alastair J., Fujiwara, Tomoya, Cormanich, Rodrigo, Bühl, Michael, Slawin, Alexandra M. Z., O'Hagan, David

Journal:

Chemistry - A European Journal

Year:

2014

Language:

english

File:

PDF, 601 KB

english, 2014

6

Fluorovinyl Thioethers as Putative Steric and Electronic Thioester Enolate Mimetics: Chemoselective HF Addition to Acetylene Thioethers

Bello, Davide, Cormanich, Rodrigo A., O'Hagan, David

Journal:

Australian Journal of Chemistry

Year:

2015

Language:

english

File:

PDF, 697 KB

english, 2015

7

Theoretical and NMR experimental insights on urea, thiourea and diindolyurea as fluoride carriers

Mendonça, João Guilherme P., Silla, Josué M., Andrade, Laize A.F., Fernandes, Sergio A., Cormanich, Rodrigo A., Freitas, Matheus P.

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 1.84 MB

english, 2016

8

Hyperconjugation is the Source of Helicity in Perfluorinated n -Alkanes

Cormanich, Rodrigo A., O'Hagan, David, Bühl, Michael

Journal:

Angewandte Chemie

Year:

2017

Language:

english

File:

PDF, 770 KB

english, 2017

9

Molecular mechanism of activation of human musk receptors OR5AN1 and OR1A1 by ( R )-muscone and diverse other musk-smelling compounds

Ahmed, Lucky, Zhang, Yuetian, Block, Eric, Buehl, Michael, Corr, Michael J., Cormanich, Rodrigo A., Gundala, Sivaji, Matsunami, Hiroaki, O’Hagan, David, Ozbil, Mehmet, Pan, Yi, Sekharan, Sivakumar, Te

Journal:

Proceedings of the National Academy of Sciences

Year:

2018

Language:

english

File:

PDF, 1.57 MB

english, 2018

10

Evaluation of the Alicyclic Gauche Effect in 2-Fluorocyclohexanone Analogs: a Combined NMR and DFT Study

Silva, Daniela Rodrigues, Zeoly, Lucas A., Cormanich, Rodrigo A., Guerra, CÃ©lia Fonseca, Freitas, Matheus P.

Journal:

European Journal of Organic Chemistry

Year:

2020

Language:

english

File:

PDF, 1.23 MB

english, 2020

11

1hJFH coupling in 2-fluorophenol revisited: Is intramolecular hydrogen bond responsible for this long-range coupling?

Rodrigo A. Cormanich, Marilua A. Moreira, Matheus P. Freitas, Teodorico C. Ramalho, Cléber P. A. Anconi, Roberto Rittner, Rubén H. Contreras, Cláudio F. Tormena

Journal:

Magnetic Resonance in Chemistry

Year:

2011

Language:

english

File:

PDF, 578 KB

english, 2011

12

The case of infrared carbonyl stretching intensities of 2-bromocyclohexanone: Conformational and intermolecular interaction insights

Jakelyne V. Coelho, Matheus P. Freitas, Teodorico C. Ramalho, Carina R. Martins, Michelle Bitencourt, Rodrigo A. Cormanich, Cláudio F. Tormena, Roberto Rittner

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 414 KB

english, 2010

13

Improvement of Multivariate Image Analysis Applied to Quantitative Structure–Activity Relationship (QSAR) Analysis by Using Wavelet-Principal Component Analysis Ranking Variable Selection and Least-Squares Support Vector Machine Regression: QSAR Study of Checkpoint Kinase WEE1 Inhibitors

Rodrigo A. Cormanich, Mohammad Goodarzi, Matheus P. Freitas

Journal:

Chemical Biology & Drug Design

Year:

2009

Language:

english

File:

PDF, 292 KB

english, 2009

14

MIA-QSPR and effect of variable selection on the modeling of kinetic parameters related to activities of modified peptides against dengue type 2

Josué M. Silla, Cleiton A. Nunes, Rodrigo A. Cormanich, Mário C. Guerreiro, Teodorico C. Ramalho, Matheus P. Freitas

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

2011

Language:

english

File:

PDF, 270 KB

english, 2011

15

Are hydrogen bonds responsible for glycine conformational preferences?

Rodrigo A. Cormanich, Lucas C. Ducati, Roberto Rittner

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1009 KB

english, 2011

16

Theoretical and infrared studies on the conformations of monofluorophenols

Marilua A. Moreira, Rodrigo A. Cormanich, Fátima M.P. de Rezende, Josué M. Silla, Cláudio F. Tormena, Roberto Rittner, Teodorico C. Ramalho, Matheus P. Freitas

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 470 KB

english, 2012

17

The lack of intramolecular hydrogen bonding and the side chain effect in alanine conformers

Rodrigo A. Cormanich, Lucas C. Ducati, Roberto Rittner

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 661 KB

english, 2012

18

Theoretical and infrared studies on the conformational isomerism of trans-2-bromo-alkoxycyclohexanes

Josué M. Silla, Claudimar J. Duarte, Matheus P. Freitas, Teodorico C. Ramalho, Rodrigo A. Cormanich, Francisco P. Santos, Cláudio F. Tormena, Roberto Rittner

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2011

Language:

english

File:

PDF, 322 KB

english, 2011

19

Computer-assisted assessment of potentially useful non-peptide HIV-1 protease inhibitors

Omar Deeb, Elaine F.F. da Cunha, Rodrigo A. Cormanich, Teodorico C. Ramalho, Matheus P. Freitas

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

2012

Language:

english

File:

PDF, 506 KB

english, 2012

20

Studies on the s-cis–trans isomerism for some furan derivatives through IR and NMR spectroscopies and theoretical calculations

Rittner, Roberto, Ducati, Lucas C., Tormena, Cláudio F., Cormanich, Rodrigo A., Fiorin, Barbara C., Braga, Carolyne B., Abraham, Raymond J.

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2013

Language:

english

File:

PDF, 810 KB

english, 2013

21

A theoretical investigation of the dictating forces in small amino acid conformational preferences: The case of glycine, sarcosine and N,N-dimethylglycine

Cormanich, Rodrigo A., Ducati, Lucas C., Tormena, Cláudio F., Rittner, Roberto

Journal:

Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.02 MB

english, 2013

22

Conformational Analysis and Intramolecular Interactions in Aminofluorobenzoic Acids

Silla, Josué M., Cormanich, Rodrigo A., Rittner, Roberto, Freitas, Matheus P.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 245 KB

english, 2013

23

1H NMR and theoretical studies on the conformational equilibrium of tryptophan methyl ester

Duarte, Claudimar J., Cormanich, Rodrigo A., Ducati, Lucas C., Rittner, Roberto

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.21 MB

english, 2013

24

Gauche Preference of β-Fluoroalkyl Ammonium Salts

Silla, Josué M., Silva, Weslley G. D. P., Cormanich, Rodrigo A., Rittner, Roberto, Tormena, Cláudio F., Freitas, Matheus P.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 447 KB

english, 2014

25

Phenylalanine and tyrosine methyl ester intramolecular interactions and conformational analysis by 1H NMR and infrared spectroscopies and theoretical calculations

Cormanich, Rodrigo A., Ducati, Lucas C., Tormena, Cláudio F., Rittner, Roberto

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

Language:

english

File:

PDF, 1.23 MB

english, 2014

26

Quantum chemical topological analysis of hydrogen bonding in HX…HX and CH 3 X…HX dimers (X = Br, Cl, F)

Cormanich, Rodrigo A., Santiago, Régis T., La Porta, Felipe A., Freitas, Matheus P., Rittner, Roberto, da Cunha, Elaine F.F., Andres, Juan, Longo, Elson, Ramalho, Teodorico C.

Journal:

Molecular Simulation

Year:

2015

Language:

english

File:

PDF, 373 KB

english, 2015

27

The Reverse Fluorine Perlin-like Effect and Related Stereoelectronic Interactions

Silla, Josué M., Freitas, Matheus P., Cormanich, Rodrigo A., Rittner, Roberto

Journal:

Journal of Organic Chemistry

Year:

2014

Language:

english

File:

PDF, 369 KB

english, 2014

28

Does intramolecular hydrogen bond play a key role in the stereochemistry of α- and β-d-glucose?

Silla, Josué M., Cormanich, Rodrigo A., Rittner, Roberto, Freitas, Matheus P.

Journal:

Carbohydrate Research

Year:

2014

Language:

english

File:

PDF, 978 KB

english, 2014

29

A Theoretical View on the Conformer Stabilization of Butane

Cormanich, Rodrigo A., Freitas, Matheus P.

Journal:

Journal of Organic Chemistry

Year:

2009

Language:

english

File:

PDF, 1021 KB

english, 2009

30

Alkyl Group Effect on the Conformational Isomerism of trans -2-Bromoalkoxycyclohexanes Analyzed by NMR Spectroscopy and Theoretical Calculations

Silla, Josué M., Cormanich, Rodrigo A., Duarte, Claudimar J., Freitas, Matheus P., Ramalho, Teodorico C., Barbosa, Thaís M., Santos, Francisco P., Tormena, Cláudio F., Rittner, Roberto

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.72 MB

english, 2011

31

The seeming lack of CF⋯HO intramolecular hydrogen bonds in linear aliphatic fluoroalcohols in solution

Cormanich, R. A., Rittner, R., Freitas, M. P., Bühl, M.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.63 MB

english, 2014

32

A theoretical and experimental 1 H NMR spectroscopy study of the stereoelectronic interactions that rule the conformational energies of alanine and valine methyl ester

Cormanich, Rodrigo A., Ducati, Lucas C., Tormena, Cláudio F., Rittner, Roberto

Journal:

Journal of Physical Organic Chemistry

Year:

2013

Language:

english

File:

PDF, 676 KB

english, 2013

33

Conformational preferences of Ac-Gly-NHMe in solution

Cormanich, R. A., Rittner, R., Bühl, M.

Journal:

Year:

2015

Language:

english

File:

PDF, 1.09 MB

english, 2015

34

Understanding the conformational behaviour of Ac-Ala-NHMe in different media. A joint NMR and DFT study

Cormanich, Rodrigo A., Bühl, Michael, Rittner, Roberto

Journal:

Organic & Biomolecular Chemistry

Year:

2015

Language:

english

File:

PDF, 831 KB

english, 2015

35

Particularly strong C–H⋯π interactions between benzene and all-cis 1,2,3,4,5,6-hexafluorocyclohexane

Cormanich, Rodrigo A., Keddie, Neil S., Rittner, Roberto, O'Hagan, David, Bühl, Michael

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.54 MB

english, 2015

36

Fluorine in fragrances: exploring the difluoromethylene (CF 2 ) group as a conformational constraint in macrocyclic musk lactones

Corr, Michael J., Cormanich, Rodrigo A., von Hahmann, Cortney N., Bühl, Michael, Cordes, David B., Slawin, Alexandra M. Z., O'Hagan, David

Journal:

Organic & Biomolecular Chemistry

Year:

2016

Language:

english

File:

PDF, 1.68 MB

english, 2016

37

The role of nonbonding interactions and the presence of fluoride on the conformational isomerism of 1,2-ethanediol

Silva, Weslley G.D.P., Silla, Josué M., Cormanich, Rodrigo A., Fernandes, Sergio A., Freitas, Matheus P.

Journal:

Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.05 MB

english, 2016

38

Hyperconjugation is the Source of Helicity in Perfluorinated n -Alkanes

Cormanich, Rodrigo A., O'Hagan, David, Bühl, Michael

Journal:

Angewandte Chemie International Edition

Year:

2017

Language:

english

File:

PDF, 830 KB

english, 2017

39

Infrared fingerprints of n Ν → σ* NH hyperconjugation in hydrazides

Andrade, Laize A. F., Silla, Josué M., CORMANICH, RODRIGO A., Freitas, Matheus P.

Journal:

Journal of Organic Chemistry

Year:

2017

Language:

english

File:

PDF, 658 KB

english, 2017

40

Solution conformations for the flexible 1-chloro-1,1-difluoro-2-pentanol unveiled using multinuclear magnetic resonance

Martins, Francisco A., Zeoly, Lucas A., Cormanich, Rodrigo A., Freitas, Matheus P.

Journal:

Year:

2018

Language:

english

File:

PDF, 604 KB

english, 2018

41

Anion effect on the conformational equilibrium of sulfamide and its N,N′ -diindolyl derivative: Insights on anion transportation

Mendonça, João G.P., Fernandes, Sergio A., Cormanich, Rodrigo A., Freitas, Matheus P.

Journal:

Journal of Physical Organic Chemistry

Year:

2018

Language:

english

File:

PDF, 803 KB

english, 2018

42

Employing small poly-functionalized molecules for a diastereoselective synthesis of highly substituted indolines

Coelho, Fernando Antonio Santos, Fernandes, Fabio de Souza, Cormanich, Rodrigo Antonio, Zeoly, Lucas André, Barboza Formiga, André Luiz

Journal:

European Journal of Organic Chemistry

Year:

2018

Language:

english

File:

PDF, 1.84 MB

english, 2018

43

Conformational analysis of 2,2-difluoroethylamine hydrochloride: double gauche effect

Silla, Josué M, Duarte, Claudimar J, Cormanich, Rodrigo A, Rittner, Roberto, Freitas, Matheus P

Journal:

Beilstein Journal of Organic Chemistry

Year:

2014

Language:

english

File:

PDF, 609 KB

english, 2014

44

Conformational analysis and intramolecular interactions in monosubstituted phenylboranes and phenylboronic acids

Silla, Josué M, Cormanich, Rodrigo A, Rittner, Roberto, Freitas, Matheus P

Journal:

Beilstein Journal of Organic Chemistry

Year:

2013

Language:

english

File:

PDF, 963 KB

english, 2013

45

Conformational analysis, stereoelectronic interactions and NMR properties of 2-fluorobicyclo[2.2.1]heptan-7-ols

de Rezende, Fátima M P, Moreira, Marilua A, Cormanich, Rodrigo A, Freitas, Matheus P

Journal:

Beilstein Journal of Organic Chemistry

Year:

2012

Language:

english

File:

PDF, 687 KB

english, 2012

46

Computational evidence for intramolecular hydrogen bonding and nonbonding X···O interactions in 2'-haloflavonols

Fonseca, Tânia A O, Freitas, Matheus P, Cormanich, Rodrigo A, Ramalho, Teodorico C, Tormena, Cláudio F, Rittner, Roberto

Journal:

Beilstein Journal of Organic Chemistry

Year:

2012

Language:

english

File:

PDF, 570 KB

english, 2012

47

2D Chemical Drawings Correlate to Bioactivities: MIA-QSAR Modelling of Antimalarial Activities of 2,5-Diaminobenzophenone Derivatives

Cormanich, Rodrigo A., Freitas, Matheus P., Rittner, Roberto

Journal:

Journal of the Brazilian Chemical Society

Year:

2011

File:

PDF, 603 KB

2011

48

Desenhos de estruturas químicas correlacionam-se com propriedades biológicas: MIA-QSAR

Cormanich, Rodrigo A., Nunes, Cleiton A., Freitas, Matheus P.

Journal:

Year:

2012

File:

PDF, 791 KB

2012

49

Conformational signature of Ishikawa´s reagent using NMR information from diastereotopic fluorines

Andrade, Laize A F, Zeoly, Lucas A, Cormanich, Rodrigo A, Freitas, Matheus P

Journal:

Beilstein Journal of Organic Chemistry

Year:

2019

Language:

english

File:

PDF, 358 KB

english, 2019

50

An Intramolecular H-Bond Is Formed in 2-Fluorophenol and 2-Fluorothiophenol, but It May Not Be the Main Pathway of The JFH Coupling Constant Transmission

Zeoly, Lucas A., Coelho, Fernando, Cormanich, Rodrigo A.

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 1.35 MB

english, 2019

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