- CHEMIST: (Ph.D. in Inorganic Chemistry; Experience: since 1986)
- X-RAY CRYSTALLOGRAPHER: ** (Experience: since 1989)
Edited a Free Access Online book (Dec-2011): "Current Trends in X-ray Crystallography"
- NMR SPECTROSCOPIST: (1H, 13C, 31P & 29Si 1-D NMR): (Experience: since 1992)
- INSTRUMENTS OPERATOR:
- COMPUTERS USER: PCs (Windows/DOS), some UNIX/Linux/Mac and VAX, PDP, IBM RISC-6000.
- FORTRAN Programer:
- XTALDB.FOR ** To handle the recent KappaCCD's high output of datasets, this small database program has
been written. It stores some sample, cell and data information in ascii database and currently searches on cell, formula, crystal code.
Also it generates summary for: Space Groups, User/Group and Annual data.
- CIF2INS.FOR ** Creates .INS (and .HKL) files for SHELXS (and SHELXL) from KappaCCD's IMPORT.CIF file.
- XRAYACS.FOR ** CAD4 Single crystal X-ray data processing (Intensity calculation, LP correction & absortion corrections; either F or F2). More than 1500 lines.
- SELECT.FOR ** To select strong reflections in desired angle range for refining the cell.
- CHIACS.FOR ** For selecting reflections for PSI data collection (Symmetry equivalents can be searched upto orthorhombic only).
- DATAFALL.FOR ** To study the fall of intensity as a function of Theta.
- FOFC.FOR ** To convert the CIF format Fo-Fc output of SHELXL-93 to three reflections per line for WINWORD.
- CHNACS.FOR ** Calculation of elemental % from Empirical Formula
- NMRTC.FOR ** Calculation of activation energy from NMR Tc (Coalescense Temperature) and frequency difference; it can back calculate where the Tc will be
for peaks for which Tc was not observed but activation energy has been calculated from other peaks.
- Typing Thamil2 in English made easy!!! (see the THAMIL2 page)
AREAS OF INTEREST
SOME USEFUL WWW CONNECTIONS:
Created by Dr. A. CHANDRASEKARAN.
Department of Chemistry, University of Massachusetts, Amherst, MA 01003, USA.
visits since 1997-DEC-11
Created on: 1997-DEC-01; Last Modified on: 2017-MAR-30.