Any suggestion for cheap real-time analysis of a chemical reaction?

Dear, I have a chemical system, consists of carbon nanomaterial and organic compound. I design a reaction. My problem is: I'm not sure that there are any reaction or not (!) although the results...

31 December 2016 302 6 View

How can I find publication fee for a good chemistry journal?

Dear all, I tried to use Google to find the publication fee for some famous journal of chemistry, material, bio, nano, etc. but I found that is very difficult to know how much is it. I assume that...

10 November 2016 9,920 0 View

Are there any software for simulation (calculation) for electrochemical properties such as CD, CV, EIS, Tafel?

I want to combine the experiment and theory to check the effect, as well as predict some properties. However, I don't know which software can help me characterize electrochemical properties of...

08 September 2016 5,541 2 View

How to calculate DFT for graphene model?

Dear, Dear all, I try to use Gaussian 09 first, and then, ORCA 3.0.3 but I cannot success with graphene model. I use BP86 functional and def2-SVP model (actually, I used 6-31G also) but the...

05 June 2016 972 1 View

Any recommend for starting computational chemistry?

Dear all, I'm a freshman of computational chemistry. Although I read a lot of books and articles, however, I don't know much about the it. At the moment, I used 2 software at the same time:...

05 June 2016 365 4 View

How to prepare carbon nanomaterial sample for Raman spectroscopy?

I prepare my sample use 3 methods: 1. Drop the solution onto surface of glass slide, and wait few days for the solvent evaporate. But, I just use this method for concentrated solution, and cannot...

04 May 2016 176 8 View

Any tutorial for Gaussian software?

I used ORCA and now, I change into Gaussian 09 because my professor (and other researchers) like it. However, I find that the tutorial of this software is not good, even though I try to find it a...

04 May 2016 5,278 12 View

How to make a binder (glue) for electrode using PVDF in electrochemical measurement?

02 March 2016 5,154 9 View

error in running a model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

error in modelling model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 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

MD MOE RMSD

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

07 August 2021 0 0 View

MGL tools

20 June 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

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

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

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

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View