TY  - GEN
AU  - Mennucci,Benedetta
AU  - Martínez,José M
TI  - How to model solvation of peptides? Insights from a quantum mechanical and molecular dynamics study of N-methylacetamide. 2. 15N and 17O nuclear shielding in water and in acetone
SN  - 1520-6106
PY  - 2007///0626
KW  - Acetamides
KW  - chemistry
KW  - Acetone
KW  - Carbon
KW  - Chemical Phenomena
KW  - Chemistry, Physical
KW  - Hydrogen
KW  - Hydrogen Bonding
KW  - Magnetic Resonance Spectroscopy
KW  - Models, Molecular
KW  - Nitrogen
KW  - Oxygen
KW  - Peptides
KW  - Quantum Theory
KW  - Solutions
KW  - Spectrophotometry, Infrared
KW  - Spectrophotometry, Ultraviolet
KW  - Water
N1  - Publication Type: Journal Article; Research Support, Non-U.S. Gov't
UR  - https://doi.org/10.1021/jp050035r
ER  -