Mohammed El Amine Benmalti

5 Questions 25 Answers 0 Followers

Questions related from Mohammed El Amine Benmalti

Frequency calculations with gaussian03?

I want to caculate the frequency of the L-alanine in water i'm using gaussian03 with 6-31G++d, but it didn't work (link died). anyone can help Thanks

04 April 2017 2,760 3 View

Can anyone help me in resolving the matrix to calculate the energy levels with Huckel methods ?

Anyone can help to calculate with Huckel methods the matrix that gives the energies of the pro penal c=c-c=o

04 April 2015 5,084 4 View

How can I find the find transition state?

How to locate the transition state of acetic acid dimer using gaussian 03 with MP2 level of calculation and 6-31Gd basis

03 March 2015 5,960 11 View

What is the best software to study the molecular dynamics of the adsorption phenomena of pollutants on activated carbon surfaces?

03 March 2014 6,951 4 View

Are you interested on amino acid ?

Hi Im working on the alanine and its zwitterionique form in gaz phase and in soltution (water). Im using gaussian 03 to search the transition state and to calclate vibrationnal spectra. So i just...

01 January 1970 7,908 2 View