TY  - GEN
AU  - Hua,Weijie
AU  - Ai,Yue-Jie
AU  - Gao,Bin
AU  - Li,Hongbao
AU  - Ågren,Hans
AU  - Luo,Yi
TI  - X-ray spectroscopy of blocked alanine in water solution from supermolecular and supermolecular-continuum solvation models: a first-principles study
SN  - 1463-9084
PY  - 2012///1019
KW  - Alanine
KW  - chemistry
KW  - Models, Chemical
KW  - Molecular Dynamics Simulation
KW  - Quantum Theory
KW  - Solutions
KW  - Solvents
KW  - Water
KW  - X-Ray Absorption Spectroscopy
N1  - Publication Type: Journal Article; Research Support, Non-U.S. Gov't
UR  - https://doi.org/10.1039/c2cp40732a
ER  -