What is the contribution of sigma bonds and big pi bonds to the benzene ring?

Hello, everyone. I have a question about the mechanical properties of graphene and sic monolayer structure.At present, it is necessary to know whether the large PI bond in the benzene ring has...

31 December 2017 688 3 View

How to draw 3(or 2)-dimension anisotropic figure of Yong's modulus ,shear modulus as well as Possion's ratio?

As the question mentioned, I want to draw 3D/2D anisotropic maps of Yong's modulus, shear modulus as well as Poisson's ratio for a cubic bulk crystal. just like as the following picture, could any...

06 July 2017 6,692 1 View

How to draw the Yong's modulus along an arbitary direction for a 2D system?

03 April 2017 3,142 2 View

How to calculate the valence charge density differences (VCDDs)?

01 January 1970 3,380 0 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

How climate change will influences human and animal behavioral change?

The role of climate change influencing the human behavior as well as economics interest

01 June 2021 0 0 View