Molecular dynamics simulation study of N-methylacetamide in water. I. Amide I mode frequency fluctuation

Journal of Chemical Physics

Volumn 119, Issue 4, 2003, Pages 2247-2255

  Kwac, Kijeong ^a   Cho, Minhaeng ^a  

^a Korea University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BOUNDARY CONDITIONS; COMPUTER SIMULATION; CONFORMATIONS; FOURIER TRANSFORMS; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULES; POLYPEPTIDES; SOLVENTS; WATER;

ELECTROSTATIC POTENTIAL; FULL WIDTH AT HALF MAXIMUM; GAUSSIAN DISTRIBUTION FUNCTIONS; METHYLACETAMIDE; MODE FREQUENCY FLUCTUATIONS; PAIR CORRELATION FUNCTIONS; PAIR DISTRIBUTION FUNCTIONS; PERIODIC BOUNDARY CONDITIONS; VIBRATIONAL STOKES SHIFT;

ORGANIC COMPOUNDS;

EID: 0042905881     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1580807     Document Type: Article

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