From photovoltaic solar cells to electrolysis of water?

Why not make a route for energy crisis, namely, electricity can be generated by photovoltaic solar cells and used to carry out the electrolysis of water? I rarely heared about this route, is it...

10 November 2018 691 7 View

How thick can SAED of TEM test?

I did SAED of the two-dimensional layered nanomaterials. I want to konw how thick (layers) need to form the SAED of TEM? just the basal plane or ten layers or more. Can anyone give me a quantity?...

10 November 2018 8,603 0 View

The atom position of 1T-MoS2?

Could anybody tell me the atom position of 1T-MoS2? I want to build the model of 1T-MoS2 for DFT calculations. Thanks a lot!

09 October 2017 1,894 4 View

How can I use Molecular Dynamics Simulations to calculate the interaction between the layered nanomaterials and solvent molecules?

10 November 2016 6,174 2 View

What difference between coordination chemistry reaction and Lewis Acid-Base chemistry reaction?

08 September 2016 8,112 0 View

NBO obtained by Gaussian could be applied to explain the overall charge of one molecule?

I want to know the surface charge of the materials modified by one type of molecule. Could I calculate the NBO of the molecule by Gaussian to explain the surface charge? But NBO just shows the...

07 August 2016 9,475 11 View

Does anyone konw how to choose electrolyte solution and pH value for Mott Schottky Measurements

31 December 2015 4,836 3 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

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

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

Why can't make aluminum nitride film successfully by use sputter?

We use reactive sputtering process to make aluminum nitride film, and want to make c-axis aluminum nitride film on a silicon substrate, but the crystal orientation cannot be seen with...

03 March 2021 7,975 3 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