Theoretical and Experimental Aspects of VCD Spectroscopy
* in conjunction with ISCD-25 2013
Location and Date:
Saturday, July 6, 2013
Venue:
ShanghaiinstituteofOrganic Chemistry
Learn From Experts in the Field:
§ Underlying principles and function of VCD instrumentation,hands-onwith ChiralIR-2X? spectrometer
§ Sample preparation: best approaches
§ Instrument settings and optimization
§ Data collection and handling – liquids and solids
§ Calculating theoretical VCD/ROA spectra;, hands-on with ComputeVOA? and Gaussian
§ Confidence of assignment using CompareVOA? software: going beyond human-eye comparison
§ Troubleshooting: how to get it right?
Instructors:
§ Prof. Laurence A. Nafie,SyracuseUniversity
§ Dr. James Cheeseman, Gaussian
§Dr. Rina Dukor, BioTools, Inc.
§Prof. Huajie Zhu(Jack) - HebeiUniveristy
Agenda:
8:30 - 9:00 - registration and coffee
9:00 - 10:00 - Introduction to VCD - Prof. Laurence A. Nafie
10:00 - 10:45 - Practical Approached to getting VCD spectra - Dr. Rina Dukor and Prof. Huajie Zhu(Jack)
10:45 - 11:15 - coffee break
11:15 - 12:15 - Dr. Jim Cheeseman - chiroptical properties in Gaussian and how to calculate spectra
12:30 - 1:30 - lunch
1:30 - 4:30 -hands-on with instrument and calculations
(two groups alternate between instrument and calculations)
Registration:
To register, please email Jenny Qi of DHS Instruments -jenny@dhsi.com.cn
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