Overcoming the Inadequacy of X-ray Powder Diffraction in Reliable Hydrogen Location with the Aid of First Principles Calculations: Crystal Structure Determination of Orotaldehyde Monohydrate-Reference-Cited by-同舟云学术

Overcoming the Inadequacy of X-ray Powder Diffraction in Reliable Hydrogen Location with the Aid of First Principles Calculations: Crystal Structure Determination of Orotaldehyde Monohydrate

Published:2008-12-16 Issue:1 Volume:113 Page:353-359
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Guidoni Leonardo¹,Gontrani Lorenzo¹,Bencivenni Luigi¹,Sadun Claudia¹,Ballirano Paolo¹

Affiliation:

1. Dipartimento di Fisica, Sapienza Università di Roma, P. le A. Moro 5, I-00185 Roma, Italy, CASPUR, Consorzio interuniversitario per le Applicazioni di Supercalcolo Per Università e Ricerca, Via dei Tizii 6, I-00185 Roma, Italy, Dipartimento di Chimica, Sapienza Università di Roma, P. le A. Moro 5, I-00185 Roma, Italy, and Dipartimento di Scienze della Terra, Sapienza Università di Roma, P. le A. Moro, 5 I-00185 Roma, Italy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp809076t

Reference37 articles.

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2. The crystal structure of 3-methyluracil from X-ray powder diffraction data

3. Oxidation of Thymine to 5-Formyluracil in DNA Promotes Misincorporation of dGMP and Subsequent Elongation of a Mismatched Primer Terminus by DNA Polymerase

4. The crystal structure of thymine monohydrate

5. Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene

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