From the Determination of the Accurate Equilibrium Structure of 1-Methylthymine by Gas Electron Diffraction and Coupled Cluster Computations to the Observation of Methylation and Flexibility Effects in Pyrimidine Nucleobases

Author:

Vogt Natalja12,Marochkin Ilya I.12,Rykov Anatolii N.2

Affiliation:

1. Chemieinformationssysteme, University of Ulm, 89069 Ulm, Germany

2. Department of Chemistry, Lomonosov Moscow State University, 119992 Moscow, Russia

Funder

Russian Foundation for Basic Research

Dr. Barbara Mez-Starck Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Reference40 articles.

1. Mashkovskii, M. D.Lekarstvennye Sredstva (Drugs);Meditsina:Moscow, 1986; Vol.2, p138.

2. Wu, K.; Su, X.; Yamakawa, M.Detection of DNA Methylation Using Raman Spectroscopy. US Pat. Appl. Publ. US 2008/0241828 A1, 2008.

3. A benchmark study of molecular structure by experimental and theoretical methods: Equilibrium structure of uracil from gas-phase electron diffraction data and coupled-cluster calculations

4. Extending the molecular size in accurate quantum-chemical calculations: the equilibrium structure and spectroscopic properties of uracil

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