Can I use wB97X-D functional in NWChem?

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Can anyone suggest a numerical method to calculate perimeter of a contour in charge density contour maps?

Hi i have drawn the charge density contour maps using VESTA taking CHGCAR files from VASP. Now, What I Want is that I need to know the perimeter of each contour appearing in the cross section 2D...

04 February 2021 3,637 1 View

How can I calculate flat band with valence band and conduction band potential for P-type semiconductor from negative slop Mott-Schottky plot?

I have a lot of journals regarding finding out VB and CB for n-type semiconductors from Mott-Schottky plots where MS slope is positive but I cont able to find out VB and CB for p-type...

01 December 2020 6,198 1 View

How can I calculate valence band maxima of a semiconductor using XPS?

I just need to calculate the valence band maxima for a semiconductor which is actually in a heterojunction with another semiconductor. The motivation is to find the exact energy level of VB and CB...

01 December 2020 3,774 7 View

How can I calculate the composition and quantity of different types of calcium aluminates and sulphides from EDS analysis of inclusions in steel?

How can I calculate the composition and quantity of different types of calcium aluminate (CA6, CA2, CA,...) and sulphides (CaS, MnS) from the EDS analysis result of inclusions present in Al-killed...

07 August 2020 4,621 1 View

Do I need to normalise the RNA for qPCR?

Dear all, Do I need to normalise the RNA before making the cDNA for qPCR to find out the absolute quantification in copy numbers? Why? What logic behind it when the primers amplify the...

20 February 2020 5,886 3 View

What kind of connectors and how to connect it to my small patch antenna?

I have designed a microstrip patch antenna that has a dimension of 13 mm X 8 mm. The microstrip line width is around 500 micrometers. The substrate is not PCB or FR4, for some reason, I can not...

10 February 2020 7,478 6 View

Total DNA-PK immunofluorescence on M059J cell?

Is anybody has any experience on doing Total DNA-PK immunofluorescence on M059J cells. As far I know M059J has inactivated or truncated DNA-PK protein. But can it be detectable by IF with Total...

06 February 2020 6,057 1 View

deleted the question.?

----deleted the question.

22 December 2019 4,752 2 View

What exactly we can infer from Charge Density Difference plot of a Hybrid system?

Consider a Hybrid system with two crystalline materials A and B, where is A used as a base (or substrate) and B (say a 2D semiconductor material) on top of A. For this system, a computational...

27 September 2019 4,425 2 View

Problem with the WB-F344 cel line. anyone had any experience ?

for last two months I try to culture WB-F344 cell which was purchased from JCRB cell bank. As mentioned in the documents I cultured them with MEM including 10% FBS, but after 4-6 passage the...

06 January 2019 4,021 2 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

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

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

Could you recommend any books about Number Theory?

Beginner level books. High level books. Analytical Number Theory. Algebraic Number Theory. Combinatorical Number Theory. Books about partitions. Books about primes.

03 March 2021 7,174 5 View

Arena simulation - how do i model the following model in ARENA (see description) (new to ARENA)?

Hello, I'm fairly new to ARENA and I have the following problem: I have two queues in which, in each queue, a different order type arrives (both having an arrival rate of exponential 10). Order...

02 March 2021 2,431 3 View