Masood Ahmad Rizvi

6 Questions 39 Answers 0 Followers

Questions related from Masood Ahmad Rizvi

How to work on old Crystallographic literature which has data as tables and no .cif file?

In the older literature, the lattice constants ,coordinates and other crystallographic details are listed explicitly in the paper, however that cannot be processed or observed using...

05 May 2018 4,039 0 View

Can any one help with the reference of amino acid residue positioning of Catalase enzyme?

Hello All In my docking study of a drug to catalase enzyme i observe a hydrogen bonding interaction between Tryptophan 496 and the drug i want to know the location of tryptophan 496 residue so...

02 February 2018 5,683 2 View

Can .ins file be generated from .res or .hkl source files?

I am in need of .ins files for my already solved crystal structures however the work folder only has .res, .cif and .hkl files. I have to develop crystallographic tables and am in need of .ins...

08 August 2016 4,450 4 View

How can I probe how strong a ligand field (coordination complex formation with Phen) stabilizes t2g6 configuration(Co 3+ and Fe2+) computationally?

It is well known that 1,10-phenanthroline (Phen) ligand forms more stable complex with Co(3+) than Co(2+) and Fe(2+) than Fe(3+). This has been attributed to their low spin t2g6 configuration what...

01 January 2016 8,591 7 View

Has anybody checked the fluorescence behavior of pure Diphenyl diselenide? if so is there any reference ?

Fluoroscence

11 November 2014 8,292 0 View

Is B3LYP TZVP level of theory ideal to optimize an organoselenium compound?

Please suggest a reference.

09 September 2014 4,794 3 View