N.N. Subrahmanyeswara Rao

5 Questions 10 Answers 0 Followers

Questions related from N.N. Subrahmanyeswara Rao

Please suggest me a few publications that contained optimisation, freqeuncy, NMR, and NBO calculations using ORCA Computational chemistry software?

I want to reproduce the results using ORCA and checking my results whether they are matching with those reported in the publications. Can I reproduce the results using ORCA against the reported...

26 September 2024 5,616 4 View

What will happen when we heat an azeotropic mixture in an open vessel?

If we distill a binary mixture then it reaches a certain point where the composition of the liquid and vapour are same. At this point If we take the mixture in an open vessel and heating for some...

08 August 2020 368 5 View

What are the standard values of distance and angle cutoffs to be considered for hydrogen bond formation?

Hydrogen bond formation in the optimized enzyme.

12 July 2016 7,067 9 View

What are the different Pharmaceutical companies and R& D Institutes in India and abroad who are already implementing AI and ML algorithms?

Please Discuss in detail about the implementation of AI and ML (already implemented or being implemented) in computational drug design, QSAR etc.

01 January 1970 7,386 0 View

Future for the core branches (Chemical, Pharmaceutical) in AI and ML fields

I think a huge demand will be there for the people who have knowledge in their core fields like (Chemical, Pharmaceutical, Mechanical, civil etc) along with the expertise in AI and ML.

01 January 1970 9,403 2 View