Concepedia

L-glutamine: Dynamical properties investigation by means of INS, IR, RAMAN, 1H NMR and DFT techniques

A. Pawlukojć, K. Hołderna-Natkaniec, G. Bator, I. Natkaniec

Chemical Physics · 2014 · 42 citations · 33 references

DOI

Concepts

References

33

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

, , +16

First principles methods using CASTEP

Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text

, , +17

The Dipolar Broadening of Magnetic Resonance Lines in Crystals

J. H. Van Vleck · Physical Review · 1948 · 2.8K citations

, , +16

Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives

Péter Pulay, Géza Fogarasi, Frank Pang et al. · Journal of the American Chemical Society · 1979 · 2.1K citations

, , +11

A General Theory of Magnetic Resonance Absorption

Ryogo Kubo, Kazuhisa Tomita · Journal of the Physical Society of Japan · 1954 · 1.9K citations

, , +16