Muhammad Ismail

4 Questions 2 Answers 0 Followers

Questions related from Muhammad Ismail

BSSE correction energy?

Hello Everyone, Can BSSE correction energy be negative? I mean, when we apply the BSSE correction, can the resulting energy be negative — for example, -0.03 — or must it always be positive?"

last month 9,421 0 View

Inputfile for ethylacetate as a solvent in UV in gaussian 09?

Hi everyone. My question is about ethyl acetate as a solvent in gaussian 09 using different models but it terminates after running. I mean how can make input file and what is the keywords for...

17 November 2022 7,989 0 View

How can draw the Carbon nanocage?

dear all! please anyone can tell me how carbon nanocage structure can draw in Gaussian or material studio?

21 October 2022 3,813 2 View

Dear all: how can we find the Gibbs energy according to following equation in material studio?

Δ G = Σ GP - Σ GR …………. (2)

09 September 2022 4,878 2 View