What are the forces between atoms,molecules,particles and grains?

how the difference between those will study

31 December 2018 9,786 6 View

What are the changes happen in quantum confinement of nano materials?

need details of changes happen in nano material due to confinement

11 December 2018 4,141 0 View

Can anyone suggest the available Books of nanophysics?

i need to know size, properties applications of nano materials

11 December 2017 175 0 View

What about shelf life of a grown crystal?

I need the reference of the shelf life about crystals

31 December 2016 5,033 0 View

Can anyone give the details of Pnma space group crystals are noncentro symmetric or symmetric?

space group Pnma crystals are noncentro symmetric or not

04 May 2016 3,848 5 View

Can anyone suggest to find powder xrd details of adipic acid and thiourea?

i want to know the details of tha above from jcpds

03 April 2016 3,733 1 View

Can anyone give the detail study of IR spectrum of inorganic compounds?

I would like to know the assignment of inorganic compound for doping material.

31 December 2014 291 1 View

Is it possible to know the nlo property of the material through ftir?

ftir is useful tool to know about nlo?

11 December 2014 7,791 3 View

How does light affect the color of a crystal

what changes are possible in crystal

08 September 2014 3,278 1 View

Can someone explain using FTIR spectrum how to interpret NLO property

08 September 2014 3,757 1 View

How the parameters (such as Mw, Chemical bonds, polymer bland and so on) affect the mechanic property of polymer (such as storage, loss modulus) ?

Anyone can recommend any books on such topics? Thanks in advance.

02 March 2021 8,457 2 View

How can you bring two structures together to create an adhesive bond in LAMMPS?

I have created an Ice 1h crystalline structure and an Aluminium substrate structure and equilibrated both at 250K. Now I need to bring them together in a way that an adhesive bond is created....

01 March 2021 3,325 2 View

Can polymer concentrations be calculated based on the number average molecular weight?

Hello, I spin-cast two different polymers onto wafers and measure their height as a function of initial concentration. For polymer A, I have the weight-average molecular weight (Mw) as well as...

28 February 2021 7,882 2 View

I am looking for a simple software program to model 3D chemical bonds. The purpose is to generate high-quality graphical abstracts. Any suggestion?

Hello everyone: I am looking for a simple software program to model chemical bonds. The purpose is to generate a high-quality graphical abstract for a top leading journal in the field of...

23 February 2021 8,012 3 View

How to resolve Gaussian error termination " Error termination via Lnk1e in F:\G16W\l103.exe" for TS(QST3)?

When I run the job for TS(QST3) in gaseous phase, it was completed without any error. But when I add water in CPCM model it terminated with an error: Inconsistency: ModMin= 2 Eigenvalue=...

21 February 2021 3,198 2 View

How to interpret this FTIR spectrum of pyrolyzed hydrochar?

20 February 2021 2,840 3 View

Using the Pfaffl method: Is it possible that the ratio of the calibrator does not equal 1?

Hi all, I have a question regarding calculations using the Pfaffl method. I have 3 groups per experiment: 1 control group (calibrator) and 2 treatment groups with 6 to 7 biological repeats per...

19 February 2021 8,351 2 View

What is error #2070 in gaussian.how we do resolve it?

We want to ONIOM calculation in gaussian16. However, gaussian doesn't work. What should we do? Atom 15 layer R linked to atom 85 is also bonded to atom 161 in layer M bad...

15 February 2021 7,766 3 View

What will happen when we assume an upper bound of OFV lower than the global minimum OFV ?

if we assume 20 is the upper bound of an objective function (OF) based on permutation a square matrix (nxn) , The minimum value of the OF=22, then we run a random operator to compute the OF by...

14 February 2021 6,056 5 View

How to calculate radial distribution function (RDF) of a complex from Ab initio MD simulation trajectory?

Hi all, Is there any software or webserver to read the molecular dynamics (MD) simulation trajectory which obtained from Ab initio MD simulation to calculate the atom-atom radial distribution...

25 January 2021 9,474 3 View