Xe-129 NMR chemical shift in Xe@C-60 calculated at experimental conditions: Essential role of the relativity, dynamics, and explicit solvent

JOURNAL OF COMPUTATIONAL CHEMISTRY

Standara, S; Kulhanek, P; Marek, R; Straka, M, 2013: Xe-129 NMR chemical shift in Xe@C-60 calculated at experimental conditions: Essential role of the relativity, dynamics, and explicit solvent. JOURNAL OF COMPUTATIONAL CHEMISTRY 34(22), p. 1890 - 1898, doi: 10.1002/jcc.23334

Research Groups:

Structure of Biosystems and Molecular Materials

CEITEC authors:

Prof. Radek Marek, Ph.D.