Dispersion corrected DFT approaches for anharmonic vibrational frequency calculations: nucleobases and their dimers-Reference-Cited by-同舟云学术

Dispersion corrected DFT approaches for anharmonic vibrational frequency calculations: nucleobases and their dimers

Published:2014 Issue:21 Volume:16 Page:10112-10128
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Fornaro Teresa¹²,Biczysko Malgorzata¹²,Monti Susanna¹²³⁴,Barone Vincenzo¹²

Affiliation:

1. Scuola Normale Superiore

2. I-56126 Pisa, Italy

3. CNR - Institute of Chemistry of Organometallic Compounds - UOS Pisa

4. I-56124 Pisa, Italy

Abstract

Toward a comprehensive and robust computational protocol for simulation of fully anharmonic vibrational (IR) spectra of nucleic acid base complexes and their adsorption on solid supports (organic/inorganic).

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C3CP54724H

Reference157 articles.

1. Conductance Switching in Single Molecules Through Conformational Changes

2. Biomolecular inorganic materials chemistry

3. Interactions of biomolecules with inorganic materials: principles, applications and future prospects

4. Nanomaterials for bio-functionalized electrodes: recent trends

5. Synthesis and Characterization of Nucleobase−Carbon Nanotube Hybrids

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