Biswajit Sadhu

3 Questions 12 Answers 0 Followers

Questions related from Biswajit Sadhu

Can anyone please provide me any reference for non bonding forcefield parameter for iodate anion???

(IO3)- non bonding parameter for molecular dynamics simulation...

12 December 2014 4,399 3 View

Can anyone please explain the basic difference between the binding free energy and bonding energy of a complex A-B formed by the reaction of A and B?

For example, I performed calculations to evaluate binding energy for a complex (let us assume A-B) using TURBOMOLE and by taking same structures i tried to find out the bonding energy...

05 May 2014 8,378 4 View

Is it possible to differentiate or predict kinetically and thermodynamically controlled product using DFT?

Please specify the method.

04 April 2013 4,830 5 View