Ab initio calculations of deuterium isotope effects on chemical shifts of salt-bridged lysines

Journal of Physical Chemistry B

Volumn 115, Issue 12, 2011, Pages 3208-3215

  Ullah, Saif ^a   Ishimoto, Takayoshi ^b   Williamson, Mike P ^c   Hansen, Poul Erik ^a  

^a ROSKILDE UNIVERSITY   (Denmark)

^b KYUSHU UNIVERSITY   (Japan)

^c UNIVERSITY OF SHEFFIELD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; AMMONIUM COMPOUNDS; APPROXIMATION THEORY; CALCULATIONS; CARRIER MOBILITY; CHEMICAL SHIFT; DEUTERIUM; HYDROGEN BONDS; MOLECULAR ORBITALS; NUCLEAR MAGNETIC RESONANCE; QUANTUM ELECTRONICS;

AB INITIO CALCULATIONS; AB INITIO MOLECULAR ORBITAL METHODS; COUNTERIONS; DEUTERIUM ISOTOPE EFFECT; DIRECT TREATMENT; GEOMETRICAL DIFFERENCES; ISOTOPE EFFECT; LYSINE RESIDUES; MULTICOMPONENTS; NON-BORN OPPENHEIMER; NUCLEAR QUANTUM EFFECTS; NUCLEAR SHIELDING; PROTEIN G; PROTONIC; SIDE CHAINS; WATER MOLECULE;

DEUTERIUM COMPOUNDS;

EID: 79953048897     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp1111789     Document Type: Article

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