Can anybody suggest any reference of ReaxFF parameters for b-Co(OH)2 for MD simulation?
I would like simulate alpha-T data of complex reaction for kinetic analysis, can anyone guide me how to solve this equation with RK4...
31 December 2015 10,156 9 View
Does anyone know how to synthesise pure cobalt carbonate (no basic cobalt carbonate) by precipitation method?
10 November 2015 4,705 7 View
How do I separate ions of transition metals: nickel, cobalt and manganese by precipitation (hydroxide and carbonate) from the leaching solution?
09 October 2015 9,628 12 View
How can I synthesise nanoparticles of cobalt carbonate with chemical precipitation method from cobalt ion and sodium carbonate solutions?
09 October 2015 2,914 7 View
How can I synthesis Co(OH)2 from solution whitout transformation to Co(OH)3 or other Co(III) hyderoxide componds?
08 September 2015 5,612 7 View
Hi, I know that low molecular weight (MW) molecules generally tend to have higher mobility, while high molecular weight molecules tend to have lower mobility. However, in my experimental...
06 August 2024 1,495 2 View
kindly reply me. Thanking you in advance.
05 August 2024 7,727 4 View
Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...
03 August 2024 3,371 3 View
I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?
02 August 2024 3,143 4 View
Molecular docking software/ websites?
02 August 2024 8,704 7 View
Can we patent a process flow diagram developed using a process simulator but no actual cases is carried out? For example consider a process for certain product manufacture where a new process flow...
31 July 2024 781 1 View
Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...
29 July 2024 1,092 2 View
Dear All Gromacs User I would like to restart MD without using checkpint .cpt files? I heard there is a way for acheiveing this. Any input and sugegstions are most welcome. Thanking You Budheswar
29 July 2024 3,084 8 View
Good day, I am a student trying to work on Autodock for a project regarding Ligand-DNA interaction so i am quite new to molecular docking. i have followed tutorials and did all the steps...
28 July 2024 2,136 4 View
If I want to calculate molecular dynamics (Gromacs), do I first need to optimize the geometry of the molecule? For example, I first draw the molecule in Avogadro, and then what? I guess I can't...
28 July 2024 673 3 View