Can anyone help me with some open source softwares which are capable of CCSD method to be applied in computational and theoretical chemstry?

Computational chemistry, quantum chemical computations

03 January 2017 449 14 View

Is it possible to set a breakpoint at a specific DYNAMIC instruction using the GNU Debugger (GDB)?

Using GDB, it is straightforward to debug and monitor a target program by setting a break-point at a specific instruction, since the instruction addresses are known. However, we have two...

24 February 2021 1,598 2 View

How to reduce static electricity of powder after lyophilization?

I am working on synthesizing and then purifying peptides using the SPPS system. After purification of the peptide, the peptide powder is obtained using a freeze dryer. When measuring the powder,...

22 February 2021 10,099 5 View

How to obtain the plot of frequency shift w.r.t. pressure in a micro resonator (cc beam) based MEMS pressure sensor in COMSOL?

I need to know how to plot the impact of pressure (0 - 100 kPa) (which is applied on the back side of diaphragm) on the frequency shift caused in the cc beam supported on the diaphragm with...

01 February 2021 5,805 17 View

Can't generate a mash for topology in ANSYS. how to do it?

Created model of steel caisson in space claim. Used a static structure for topology. But there's an error "one or more surfaces cannot be mashed with acceptable quality", " One or more entities...

25 January 2021 893 1 View

What are some properties of a proton in a static B-field?

I have some basic questions about the behavior of a charged particle in a static B-field. 1. Without a B-field, the particle has spin, with random orientation and spin frequency. a) What...

24 January 2021 1,389 3 View

Abaqus CAE: Steps and applying loads using amplitude (static general) - why it doesn't work as expected?

24 January 2021 2,146 2 View

How to view the electrostatic potential value of a Gaussian09W result?

Hi all I am able to view the electrostatic potential surface using Gaussview to see the calculating result from Gaussian09W of a small molecule. However, the strength is represented by color. I am...

19 January 2021 5,448 3 View

What mechanism is involved when chitosan is coated on magnetic nanoparticles?

Hello! I am currently working on coating of chitosan on magnetic Fe3O4 nanoparticles. I am wondering how this coating process happened? i.e. through what mechanism that chitosan can be coated on...

13 January 2021 5,657 5 View

How to Simulate the process of self-folding mechanism in Ansys or Hypermesh?

As simulation is mainly effective on static structures or static status, but how to simulate the whole process of self-folding. Please can anyone help me in this regard. Thanks in advance

12 January 2021 1,276 4 View

Which one I should choose in Abaqus ?

Hello, plese give me your idea! I simulate one slab concrete affected by temperature at top and bottom surfaces. after that, have a static load distribution with small area put on top surface. I...

12 January 2021 5,769 4 View