Quantum chemistry - FAQS.TIPS

More Mamoun S.M. Abd El-Kareem's questions See All

How can I prepare 300mg/L concentration of lead(II) nitrate ( Mol. Wt reffered is 331.21) incoorporated Luria-Bertani (LB) agar ?

I need to check the Heavy metal (lead) consumption assay using microbes at varying concentration in same media. ( 200mg/L to 2000mg/L).kindly help me to clear it.

19 January 2021 1,946 9 View

No title

Is it possible to activate these models with the presence of e-learning at the present time or are they somewhat difficult to implement?

29 December 2020 1,076 12 View

Is THC causing underlying paranoia in individuals?

In other words, is there a chemical impact caused by THC which could be activating neural correlates in the insular cortex (ic) of the brain? The increase in the sensory activating...

04 August 2020 967 4 View

Will genetic characteristics of bacterial isolate have stored for long time can change such as plasmid loss?

I hope get answers with evidence

02 May 2020 707 46 View

What methods should be used for analyzing PCR amplification products?

What method(s) should be used for analyzing PCR amplification products?

27 April 2020 7,499 8 View

What is the best in the genetic modification of plants, plant cell or chloroplasts and why?

cloning endotoxin gene in chloroplast

24 January 2019 8,093 3 View

Is it possible to write the ANN model equation based on the resulted weights?

Artificial neural network model

17 December 2018 598 5 View

Why 3-aminopropyltriethoxysilane coating of glass surfaces with water ?

05 July 2018 7,593 3 View

How to choose the k-point sampling and the planewaves energy cutoff ?

Should I fix the k-point density and then increase the energy cutoff in steps until convergence, or should I fix the energy cutoff and then increase the k-point density in steps?

16 June 2018 5,463 5 View

What are the most famous plant extracts used in green synthesis of nanoparticles ?

06 June 2018 8,760 12 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 View

I am interested in medicinal chemistry field, which books are highly recommended to learn from?

I am at the beginner level in drug design and drug discovery, and I am interested to learn more about this field. Which books are highly recommended to start from and gives me all essential...

02 March 2021 8,437 2 View

How Relativistic effects is one reason for lanthanide contraction?

The Lanthanide contraction which is the decrease in ionic radii of the elements in the lanthanide series from atomic number 57, lanthanum, to 71, lutetium, is due to poor shielding of the 4f...

01 March 2021 2,272 4 View

Syeda Aaliya Shehzadi

Dear Mamooun,

I was working with Hyperchem just before reading ur text. U can calculate bond lengths by drawing ur molecule then compute either single point energy or optimized geometry then select the required bond it will show bond length below left corner of working window.

Best Regards

Mamoun S.M. Abd El-Kareem

thank you for your interist , i know that but i need to get all bond lengths of the whole molecule in one table

Immanuel Gadaczek

Save it as an xyz file and write a short script in a language you prefer that calculates all the bond lenght, angles and dihedrals for you.