Andrei K Dioumaev

3 Questions 54 Answers 0 Followers

Questions related from Andrei K Dioumaev

Can one reverse the FEM natural modes calculations?

Dear Colleagues, I am moving into a territory outside my field of expertise, so please be tolerant if my questions are naïve. Consider a matrix: an eigen-solver generates a set of eigen-values...

25 February 2021 1,741 3 View

Could somebody share their experience with the online service for IR spectra simulations called "TeleSpec IR Simulator"?

Dear all: In a separate topic (https://www.researchgate.net/post/Is_there_free_software_for_modelling_IR_spectra_of_small_molecules#557b3fe95cd9e346278b4614) I was asking about software for IR...

12 June 2015 7,924 37 View

Is there free software for modelling IR spectra of small molecules?

What I need is a really simple program for fast-and-dirty estimates, and I am not interested in complex programs that are doing semi classical and/or quantum calculations. Just a small molecule in...

29 May 2015 1,125 7 View