What software is used for computations in polymers?

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Many mechanisms are reported for spin lattice relaxation (T1) in NMR. what are these ? Are there any resources that explain these mechanisms in details ?

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What pairs cannot simultaneously measured with high precision based on Heisenberg uncertainty principle ?

based on Heisenberg uncertainty principle what other pairs cannot simultaneously measured with high precision except position, momentum and time, energy ?

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Are there any indexes except NICS and HOMA for study of a theoretical aromaticity ?

The study of a theoretical aromaticity.

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MD MOE RMSD

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

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MD MOE RMSD

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

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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.

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fatal error

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fatal error

16 June 2021 0 0 View

fatal error

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flexibility of polymers chain

effect of double bond on the flexibility of polymers

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Formulation of polymer color flakes

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

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Chlorinated organic formation in odor control scrubbers using hypochlorite?

I'm involved in a study of odor control technologies for municipal wastewater treatment plant. One of the control options involves a chemical 2-stage (acid/alkaline) packed bed scrubber. The...

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Resistor definition in Piezoelectric bimorph with ANSYS workbench

Hello, good day! I am trying to simulate similar bimorph piezoelectric harvester with below commands. However, the output power doesn't change with resistor value. Please help to find the reason. ET,10,CIRCU94,0 !SET UP RESISTOR R,1,100000 !RESISTANCE VALUE TYPE,10 !SET ELEMENT TYPE E,1,2 !CREATE RESISTOR BETWEEN NODES 1 AND 2 Thanks in advance Regards,

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Poonam Tandon

CRYSTAL09 is one of these.

Angana Ray

The software you choose also depends on the type of polymer to be simulated. I did some simulations using CHARMM software but had to modify the parameter and topology files accordingly.

It will also depend on what you want to calculate.

Mohammad Reza Molavian

I want to use this software for optimizing and predicting some characteristics of these compounds.

Hisham Mohammed ali Hasan

you can use C-MOLD CAE software for plastic