How can spin density distribution and spatial spin density be calculated in value and in graph computationally?

how can i get spin density in value and in graph from Gaussian?

03 April 2018 2,069 0 View

Any suggestion about solving the L508?

11 December 2017 7,648 0 View

I am getting the following error in gaussian 09 via linkle termination l508.

I am optimizing the 67 atoms file with the following path opt freq m06/6-31g(d) scrf=(cpcm,solvent=water) nosymm scf=(fermi,xq c,maxconventionalcycles=30) I am getting this error LinEq1: Iter= 0...

06 July 2017 989 6 View

What is relationship between stability and metal- ligand binding energy in metal complexes?

I want to know that the relationship is linear or not

05 June 2016 6,496 3 View

What is the relationship between solvent dielectric constant and binding energies in metal complexes?

Binding energies of metal to ligand

05 June 2016 2,404 2 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

Sample dilution for quantitative analysis using ELISA?

If the detection range is in ng/ml but the reference range is in ug/ml for a molecule or protein in serum or plasma .how to dilute and what is the initial volume to be taken for quantitative analysis

02 March 2021 7,670 3 View

Is SSRN e-Journal Scopus indexed?

I have publication in SSRN. I want to know whether it is Scopus indexed? Does it show impact factor? What is its ISSN No.?

02 March 2021 4,565 3 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

Any research paper call for publication related to management or finance or economics?

It should be standard journal (Indexed)

01 March 2021 8,379 1 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

How to find fast publication Scopus Indexed (Q2) journals in Computer Science and Engineering?

Dear Researchers, I would like to find some (Q2) Scopus-Indexed journals with fast publication in the field of Computer Science and Engineering major?

28 February 2021 3,285 2 View

Scopus Index Journal List , 2021?

please provide me the most recent Scopus Index Journals List, February-2021

27 February 2021 3,545 1 View

How can be researcher's index developed?

What are the criteria to be followed to develop the researcher's index?

26 February 2021 9,051 0 View

The Shannon's index is inversely proportional to Simpson's index (1-D)?

I'm having a problem with my bloxplot with Shannon's and Simpson's indexs. The value of Shannon for my Community 1 indicating higher diversity (in relation of the Community 2), but have lower...

26 February 2021 3,033 9 View