C–H··· O Hydrogen Bonding. The Prototypical Methane-Formaldehyde System: A Critical Assessment
Distinguishing the functionality of C–H··· O hydrogen bonds (HBs) remains challenging,
because their properties are difficult to quantify reliably. Herein, we present a study of the …
because their properties are difficult to quantify reliably. Herein, we present a study of the …
Dissection of the factors affecting formation of a CH∙∙∙ O H-bond. A case study
S Scheiner - Crystals, 2015 - mdpi.com
Quantum calculations are used to examine how various constituent components of a large
molecule contribute to the formation of an internal CH∙∙∙ O H-bond. Such a bond is present in …
molecule contribute to the formation of an internal CH∙∙∙ O H-bond. Such a bond is present in …
Cyclic and acyclic fructose conformers in the gas phase: a large-scale second-order perturbation theory study
M Szczepaniak, J Moc - The Journal of Physical Chemistry A, 2014 - ACS Publications
We performed large-scale second-order perturbation theory gas-phase calculations to study
about five hundred structures of d-fructose. The two lowest energy fructose structures …
about five hundred structures of d-fructose. The two lowest energy fructose structures …
[PDF][PDF] Dissection of the Factors Affecting Formation of a CHO H-Bond. A Case Study
S Scheiner - Analysis of Hydrogen Bonds in Crystals - mdpi.com
Quantum calculations are used to examine how various constituent components of a large
molecule contribute to the formation of an internal CHO H-bond. Such a bond is present in …
molecule contribute to the formation of an internal CHO H-bond. Such a bond is present in …