¹H chemical shift differences of Prelog-Djerassi lactone derivatives: DFT and NMR conformational studies

T. J. Aímola, D. J. P. Lima, L. C. Dias, C. F. Tormena, M. A. B. Ferreira

Organic and Biomolecular Chemistry, 2015, 13, 2140-2145.

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

R. A. Cormanich, N. S. Keddie, R. Rittner, D. O'Hagan, M. Buhl

Physical Chemistry Chemical Physics, 2015, 17, 29475-29478.

Is there an intramolecular hydrogen bond in 2-halophenols? A theoretical and spectroscopic investigation

M. H. Abraham, R. J. Abraham, A. E. Aliev, C. F. Tormena

Physical Chemistry Chemical Physics, 2015, 17, 25151-25159.

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

R. A. Cormanich, M. Buhl, R. Rittner

Organic and Biomolecular Chemistry, 2015, 13, 9206-9213.

Effects of stereoelectronic interactions on the relativistic spin-orbit and paramagnetic components of the ¹³C NMR shielding tensors of dihaloethenes

R. V. Viesser, L. C. Ducati, J. Autschbach, C. F. Tormena

Physical Chemistry Chemical Physics, 2015, 17, 19315-19324.

Experimental and theoretical evaluation of trans-3-halo-2-hydroxy-tetrahydropyran conformational preferences. Beyond anomeric interaction

T. M. Barbosa, R. V. Viesser, R. J. Abraham, R. Rittner, C. F. Tormena

RSC Advances , 2015 , 5 , 35412-35420 .

Stereoeletronic effects and H-bonding in the conformational equilibrium of serine and threonine methyl esters.

C. J. Duarte, L. C. Ducati, K. R. L. Freire, R. Rittner

Biological and Chemical Research, 2015, 65-74.

The conformational analysis of 2-halocyclooctanones

T. C. Rozada, G. F. Gauze, F. A. Rosa, D. C. Favaro, R. Rittner, R. M. Pontes, E. A. Basso

Spectrochimica Acta Part A, 2015, 137, 176-184.

NMR spectroscopy and theoretical calculations in the conformational analysis of 1-methylpyrrolidin-2-one 3-halo-derivatives

U. Z. Melo, R. G. M. Silva, D. A. S. Yamazaki, R. M. Pontes, G. F. Gauze, F. A. Rosa, R. Rittner, E. A. Basso

Journal of Physical Chemistry A, 2015, 119, 2111-2121.

Experimental and theoretical evaluation on the conformational behavior of L-aspartic acid dimethyl ester and its N-acetylated derivative.

C. B. Braga, L. C. Ducati, R. Rittner

RSC Advances, 2015, 5, 18013-18024.

Conformational preferences of Ac-Gly-NHMe in solution

R. A. Cormanich, R. Rittner, M. Buhl

RSC Advances, 2015, 5, 13052-13060.