Ab initio study of the internal rotation barrier of formamide and the formamide-H2O complex
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference24 articles.
1. Ab initio calculations of the rotational barriers in formamide and acetamide: The effects of polarization functions and correlation
2. Ab initio calculation of amine out-of-plane angles
3. Internal rotation in some organic molecules containing methyl, amino, hydroxyl, and formyl groups
4. Saddle-point geometries and barriers to internal rotation of formamide : an ab initio study
5. Is formamide planar or nonplanar?
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2. Inter- and Intramolecular Vibrational Energy Flow in a Formamide–Water Complex;The Journal of Physical Chemistry A;2020-03-31
3. Hydrogen bonding of formamide, urea, urea monoxide and their thio-analogs with water and homodimers;Journal of Chemical Sciences;2014-11
4. Variationally determined electronic states for the theoretical analysis of intramolecular interaction: I. Resonance energy and rotational barrier of the C–N bond in formamide and its analogs;Theoretical Chemistry Accounts;2012-03-21
5. Hydrogen bond formation of formamide and N-methylformamide in aqueous solution studied by quantum mechanical charge field-molecular dynamics (QMCF-MD);Physical Chemistry Chemical Physics;2011
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