Dear all
How is it possible to keep an angle or a bond constant during geometry optimization in Molpro Quantum Chemistry Software? I have tried what is listed in the manual with no success.
many thanks
I have a response variable called skin yellowness, which I will measure via a scored color chart, whereby 1 is pale yellow and 15 is orange. I'm not sure if this counts as an ordinal variable,...
11 August 2024 4,793 1 View
Approximate concentrations are require in compared with the WHO permissible limts
11 August 2024 2,723 1 View
how can I read Waters, R. S. 1958. Morphological mapping. Geography 43 :10-17 from internet? note: not in google or resaearch gate
26 July 2024 7,813 3 View
How can the rubber fibres produced by the electrospinning device be removed from the fibre collector (aluminium foil) without affecting the orientation of the rubber fibres for use in reinforcing...
26 July 2024 8,281 0 View
Despite not having cells in the media, I am getting purple color. I have tried many troubleshooting methods, varying media types, and even different MTTs from different companies to figure out the...
21 July 2024 9,914 1 View
As PhD student specialized as food and industrial microbiology need to further research on bacteriocin and fermented food.
16 July 2024 7,394 1 View
What are some of the areas to consider in undertaken research in educational administration in MPhil.
14 July 2024 8,394 2 View
XRD analysis
08 July 2024 977 4 View
how i can calculate mathematically COD concentration if i add 1gr from glucose to 1 L distilled water
08 July 2024 9,104 2 View
Previously, I successfully modelled the transmission and reflection of electromagnetic waves incident on non-magnetic materials. Please refer to my publications for details: 1- A polynomial model...
05 July 2024 1,396 2 View
Hello. I have the geometry of a blade in CAD file (stp) and I want to prepare the blade for meshing with turboGrid. I must import this file into designModeler and then transfer to the...
27 July 2024 356 3 View
Dear Siesta Users, I installed Siesta 5.0.1 and I want to use Grimme's D3 correction. According to the 5.0.1 manual, I could use a few parameters to include the D3 correction in the...
27 July 2024 5,748 0 View
Hi everyone, I am working on a curved domain in which a ship is situated in the middle (geometry is given below). In my understanding the general fluid flow is parallel to the x axis from inlet to...
25 July 2024 9,058 4 View
We assume that there is a physico-statistical meaning to the constant π other than circular geometry, but the iron guardians of the Schrödinger equation deny this. The iron guardians of the...
22 July 2024 4,285 9 View
Hi everyone, I want to import an STL geometry (surface meshed with 2D meshes) into ANSYS APDL. After importing, I also want to mesh the structure with SOLID187 elements to convert it into a solid...
25 June 2024 4,286 4 View
In the isosceles triangle ABC (AC=AB), the angle at the vertex is 20°. Point D is chosen on the side AB such that AD=BC. Find the measure of angle CDB.
23 June 2024 7,541 8 View
In triangle ABC, the bisector AL₁ is drawn. Points O₁, O₂, O are the centers of the circles circumscribed around triangles ACL₁, ABL₁, ABC, respectively. The radii are denoted as R₁, R₂, R for...
12 June 2024 7,596 1 View
I imported an 3D cad geometry in ansys. Now I want to create the mesh with solid45 element in workbench. How to proceed?
05 June 2024 2,490 1 View
Consider a circle of radius R with center O. Two other circles are internally tangent to this circle and intersect at points A and B. Find the sum of the radii of the other two circles, given...
29 May 2024 9,788 1 View
While computing the mechanism of a trimethylsilylcyanation related to this work (10.1021/acs.organomet.1c00070) I managed to optimize the geometry of both reactants and product and locate a good...
26 May 2024 9,925 0 View