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

How can I calculate The Wiberg bond index values of the bond?

07 August 2016 3,323 0 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

What is your perception on using visual analysis or quantitative approaches to evaluate data from single-case research designs (n of 1 trials)?

Results of single-case research designs (i.e., n-of-1 trials) are often evaluated by visually inspecting the time-series graph and computing quantitative indices. A question our research team is...

03 March 2021 687 1 View

How can I make stacked bar graph with scatter plot?

I want to make a stacked bar graph with showing each data value as dots. I tried with graph pad prism, version 6, but could not succeed. Does anyone have tried before making such graphs?

01 March 2021 9,383 1 View

Is there a deep reason for using the squared modulus of the wave function as the probability density of the existence of the particle?

I think we were all surprised at the first time we got to know quantum mechanics that the squared modulus of the wave function is the probability density of the existence of the particle? The role...

28 February 2021 6,282 9 View

What could be reason for getting such type of graph for complex impedance in case of polymer blend films?

Its effect appears in real part of ac conductivity also. Can anyone suggest any reason behind it?

26 February 2021 3,487 3 View

Why do the air flow results vary totally when adding scalar in CFD ?

Dear All, We are using Autodesk cfd to calculate the air flow in a single sided naturally ventilated room, where air flow depends only on buoyancy due to temperature difference between inside and...

25 February 2021 9,602 4 View

Can I use a graph from a another source in a thesis?

I have a permission from X company to use their graph from a report, but they have a reference in the bottom left corner of the graph as follows: "Source: Database Y". Is it OK to use this graph...

24 February 2021 2,269 3 View

I have need of XRD graph analysis software for phase identification. Can you please provide links for software tools which can be downloaded?

i am trying to download x'pert high score software, but can't download it. please do suggest software for phase analysis

24 February 2021 5,687 4 View

How to prepare a thin polymer film by post-polymerization/crosslinking?

24 February 2021 2,362 5 View

Could you please suggest to me research in which a relation between the shear wave velocity and the degree of saturation for stone was discussed?

Hi all, I am looking for a graph or a relation that relates the degree of saturation and the shear wave velocity for the marlstone. Looking forward to your suggestions Best Regards

24 February 2021 9,690 1 View

Is there a suitable way to confine cell attachment area inside a multi-well plate?

Are there any types of cylindrical cell culture inserts that are designed to confine cell seeding area? Say, if I'm using a 12 well plate (3.5 cm^2/well), but only want to seed cells in the middle...

22 February 2021 7,127 4 View