NMR Solvent Shifts of Adenine in Aqueous Solution from Hybrid QM/MM Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

NMR Solvent Shifts of Adenine in Aqueous Solution from Hybrid QM/MM Molecular Dynamics Simulations

Published:2007-04-26 Issue:19 Volume:111 Page:5225-5232
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Komin Sittipong¹,Gossens Christian¹,Tavernelli Ivano¹,Rothlisberger Ursula¹,Sebastiani Daniel¹

Affiliation:

1. Max-Planck-Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany, and Institut des Sciences et Ingénierie Chimiques, Ecoles Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp067263l

Reference79 articles.

1. Advanced Solid-State NMR Methods for the Elucidation of Structure and Dynamics of Molecular, Macromolecular, and Supramolecular Systems

2. Spiess, H. W.J. Polym. Sci. A: Poly. Chem.2004,42, 5031.

3. AB-INITIO CALCULATIONS OF NMR PARAMETERS IN CONDENSED PHASES

4. The DFT route to NMR chemical shifts

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