Modeling of the 15N and 13C chemical shift tensors in purine
Publication
, Journal Article
Facelli, JC; Hu, JZ; Solum, MS; Pugmire, RJ; Grant, DM
Published in: ACS Symposium Series
January 1, 1999
This paper presents quantum mechanical studies of the 15N and 13C chemical shifts in both the N7-H and N9-H tautomeric forms of purine. Quantum mechanical calculations of the chemical shifts were used to assign the NMR resonances and the spatial orientation of the principal axes of the chemical shift tensors. Calculations in purine and in a pyridine-methanol complex model provide insights on the importance of the intermolecular interactions on the chemical shifts of the nucleic acid bases.
Duke Scholars
Published In
ACS Symposium Series
DOI
ISSN
0097-6156
Publication Date
January 1, 1999
Volume
732
Start / End Page
162 / 176
Citation
APA
Chicago
ICMJE
MLA
NLM
Facelli, J. C., Hu, J. Z., Solum, M. S., Pugmire, R. J., & Grant, D. M. (1999). Modeling of the 15N and 13C chemical shift tensors in purine. ACS Symposium Series, 732, 162–176. https://doi.org/10.1021/bk-1999-0732.ch012
Facelli, J. C., J. Z. Hu, M. S. Solum, R. J. Pugmire, and D. M. Grant. “Modeling of the 15N and 13C chemical shift tensors in purine.” ACS Symposium Series 732 (January 1, 1999): 162–76. https://doi.org/10.1021/bk-1999-0732.ch012.
Facelli JC, Hu JZ, Solum MS, Pugmire RJ, Grant DM. Modeling of the 15N and 13C chemical shift tensors in purine. ACS Symposium Series. 1999 Jan 1;732:162–76.
Facelli, J. C., et al. “Modeling of the 15N and 13C chemical shift tensors in purine.” ACS Symposium Series, vol. 732, Jan. 1999, pp. 162–76. Scopus, doi:10.1021/bk-1999-0732.ch012.
Facelli JC, Hu JZ, Solum MS, Pugmire RJ, Grant DM. Modeling of the 15N and 13C chemical shift tensors in purine. ACS Symposium Series. 1999 Jan 1;732:162–176.
Published In
ACS Symposium Series
DOI
ISSN
0097-6156
Publication Date
January 1, 1999
Volume
732
Start / End Page
162 / 176