Quantum nature of the hydrogen bond

By Xin-Zheng Li, B. Walker, A. Michaelides. Proceedings of the National Academy of Sciences of the United States of America, 2011

403 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Organic Chemistry, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/a0539a5172abf50fc6674368f054a346ba8174ea

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Thomas E. Markland
2. Thomas F. Miller
3. Scott Habershon
4. Jeffrey J. Gray
5. Maxim V. Shapovalov
6. David Baker
7. Roland L. Dunbrack
8. David E. Manolopoulos

In Organic Chemistry

1. Tanja Kortemme
2. Maxim V. Shapovalov
3. Brian Kuhlman
4. Andrew Leaver-Fay
5. David Baker
6. Rhiju Das
7. Frances H. Arnold
8. Amelie Stein

In Physical and Theoretical Chemistry

1. David E. Manolopoulos

Citations in the corpus

• The Rosetta all-atom energy function for macromolecular modeling and design (2017, background): “Hydrogen bonds are partially covalent interactions that form when a nucleophilic heavy atom donates electron density to a polar hydrogen.”
• Ring-polymer molecular dynamics: quantum effects in chemical dynamics from classical trajectories in an extended phase space. (2013, background): “Recent studies have shown that these competing quantum effects also arise in other hydrogen-bonded systems (86) and that they are fundamentally connected to the experimentally observed isotopic fractionation of hydrogen between the liquid and vapor phases of water (87).”