X-ray spectroscopy of blocked alanine in water solution from supermolecular and supermolecular-continuum solvation models: a first-principles study
Abstract
The N1s near-edge X-ray absorption fine structure (
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* Corresponding authors
a
Department of Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, S-106 91 Stockholm, Sweden
E-mail:
luo@kth.se
Fax: +46 8 5537 8590
Tel: +46 8 5537 8414
b Centre for Theoretical and Computational Chemistry (CTCC), Department of Chemistry, University of Tromsø, N-9037 Tromsø, Norway
c National Synchrotron Radiation Laboratory and Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, P. R. China
The N1s near-edge X-ray absorption fine structure (
W. Hua, Y. Ai, B. Gao, H. Li, H. Ågren and Y. Luo, Phys. Chem. Chem. Phys., 2012, 14, 9666 DOI: 10.1039/C2CP40732A
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