A hybrid quantum mechanical molecular mechanical method: Application to hydration free energy calculations
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1488930
Reference111 articles.
1. Gas-Phase Basicity of Glycine: A Comprehensive ab Initio Study
2. Conformers of gaseous protonated glycine
3. A density functional study of the glycine molecule: Comparison with post-Hartree-Fock calculations and experiment
4. On the question of salt bridges of cationized amino acids in the gas phase: glycine and arginine
5. Towards the absolute proton affinities of 20 α-amino acids
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