Cao, Xiaolin; Fischer, Gad
The infrared spectrum, molecular structure, and conformations of L-tryptophan in isolated zwitterionic form have been studied by means of a recently developed infrared sampling technique and ab initio molecular orbital calculations using a nonaqueous self-consistent reaction field (SCRF). A complete mid-IR spectrum of monomeric tryptophan in zwitterionic form was obtained in a solid solvent of KBr. SCRF calculations using KBr as the continuum at the HF/6-31G(d, p) level were performed on...[Show more]
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