Yang, Seongeun <br/><br/>
Direct calculations of vibrational absorption and circular dichroism spectra of alanine dipeptide analog in water: quantum mechanical/molecular mechanical molecular dynamics simulations.  [electronic resource] 

 -  The Journal of chemical physics  Oct 2009 
 - 135102 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, Non-U.S. Gov't 
<br/><br/><label>ISSN: </label>1089-7690 
<br/><br/><label>Standard No.: </label>10.1063/1.3243078  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Absorption<br/>Circular Dichroism<br/>Dipeptides--chemistry<br/>Molecular Dynamics Simulation<br/>Peptides--chemistry<br/>Proteins--chemistry<br/>Quantum Theory<br/>Spectrophotometry, Infrared<br/>Vibration<br/>Water--chemistry