Dr. Nand Kishor Gour

4 Questions 11 Answers 0 Followers

Questions related from Dr. Nand Kishor Gour

Can any one suggest me the most stable structure of ZrO(NO3)2.xH2O and what happens when it react with molecular iodine ?

I want to do theoretical calculation related to ZrO(NO3)2.xH2O. So, i have a need of the most stable structure of the same

27 July 2016 2,440 0 View

While converting methane into methanol by Rh2+ I could not adsorb O2 in Rh2CH2 cation (intermediate after CH activation).Is there any special command?

I am trying to convert methane into methanol using Gaussian 09 .Till now I have achieved C-H activation in methane by gas-phase Rh2 cation but when I was trying to adsorb O2 in Rh2CH2 cation(...

05 March 2016 9,497 0 View

Can anyone told me the Gaussian Command for Solvation energy calculation?

I have given Command for of acetic acid in solvent phase by the command using scrf=(smd,solvent=water)command. But in output i have no found Delta G solvation. What is the Correct Gaussian Command ?

01 December 2015 9,892 7 View

Is barrierless TS possible ?

I am doing H-abstraction reaction by OH radicals. I found one TS, Which is barrierless. Is it possible. What is reason behind it ?

30 November 2015 9,235 5 View