This review on continuum solvation models has been preceded in Chemical Reviews by
others addressing the same subject. They are due to Tomasi and Persico1 (published in …

This article is probably the first such comprehensive review of theoretical methods for
estimating the energy of intramolecular hydrogen bonds or other interactions that are …

A novel definition for the hydrogen bond is recommended here. It takes into account the
theoretical and experimental knowledge acquired over the past century. This definition …

The term “hydrogen bond” has been used in the literature for nearly a century now. While its
importance has been realized by physicists, chemists, biologists, and material scientists …

We present here a review of currently available methods for the calculation of indirect
nuclear spin–spin coupling constants, discussing some of the questions and difficulties …

Our aim is to examine the recent experimental and theoretical research involving the nuclear
spin–spin coupling tensor, the indirect coupling mediated by the electronic structure, JMN …

Despite their crucial role in the stabilization of biomolecular structures and their almost
ubiquitous involvement in biomolecular reactions, such as enzymatic cleavage or ligand …

1H, 2H, and 13C NMR spectra of enriched CH313COOH acid without and in the presence of
tetra-n-butylammonium acetate have been measured around 110 K using a liquefied Freon …

A study is presented of the structural dependencies for scalar J-coupling and the amide
donor 1H chemical shifts in the hydrogen bonding regions of proteins. An analysis of the …

Abstract 1H NMR chemical shifts and coupling constants for several aromatic and aliphatic
organic molecules have been calculated with DFT methods. In some test cases (furan, o …