Concepedia

Structure of Proton-Bound Methionine and Tryptophan Dimers in the Gas Phase Investigated with IRMPD Spectroscopy and Quantum Chemical Calculations

Åke Andersson, Mathias Poline, Meena Kodambattil, Oleksii Rebrov, Estelle Loire, Philippe Maı̂tre, Vitali Zhaunerchyk

The Journal of Physical Chemistry A · 2020 · 15 citations · 41 references

Open access

Abstract

, however, cannot be explained without some abundance of type B charge-solvated conformers as well as salt-bridged structures.

References

41

Revealing Noncovalent Interactions

Erin R. Johnson, Shahar Keinan, Paula Mori‐Sánchez et al. · Journal of the American Chemical Society · 2010 · 9.3K citations

Natural Sciences, Chemistry, Medicinal Chemistry +17

DFTB+, a Sparse Matrix-Based Implementation of the DFTB Method

Bálint Aradi, B. Hourahine, Thomas Frauenheim · The Journal of Physical Chemistry A · 2007 · 1.7K citations

Natural Sciences, Computer Science, Computational Chemistry +12

Spectral Signatures of Hydrated Proton Vibrations in Water Clusters

Jeffrey M. Headrick, Eric G. Diken, R. Walters et al. · Science · 2005 · 789 citations

Natural Sciences, Chemistry, Physics +14

Analysis of Hydrogen-Bond Interaction Potentials from the Electron Density: Integration of Noncovalent Interaction Regions

Julia Contreras‐García, Weitao Yang, Erin R. Johnson · The Journal of Physical Chemistry A · 2011 · 456 citations

Natural Sciences, Chemistry, Materials Science +17

Harmonic frequency scaling factors for Hartree-Fock, S-VWN, B-LYP, B3-LYP, B3-PW91 and MP2 with the Sadlej pVTZ electric property basis set

Mathew D. Halls, Julia Velkovski, H. Bernhard Schlegel · Theoretical Chemistry Accounts · 2001 · 453 citations

Natural Sciences, Chemistry, Physics +8