Hi, I have a gas mixture of (H2,CO,H2O,CO2). For calculating pure viscosity of this component ,I need dipole moment. How can I calculate dipole moment? Any body knows a good reference to use that I dont have to calculate it for the components?
I want to know more about Uranium ore deposits in world.
11 August 2024 6,718 0 View
I want to know more about diamond ore deposits in world.
11 August 2024 2,166 1 View
We assume that the difference is huge and that it is not possible to compare the two spaces. The R^4 mathematical space considers time as an external controller and the space itself is immobile in...
10 August 2024 6,676 14 View
If Banks do not provide credit facility, what are the options available for FPOs and impact on producer’s income?
10 August 2024 8,197 5 View
What are a “Farmers Producer Organization” (FPO) and its essential features?
10 August 2024 475 5 View
I used eye tracking to examine how participants from two different populations (A and B) react to an image. Participants in population A exhibit larger pupil sizes over time, but they also have...
10 August 2024 3,228 0 View
I have been doing the m6A dot blot for a while with no improvement, I am extracting the RNA, and I can see the dots although the three biological replicas give a different reading on the memberan...
10 August 2024 8,537 5 View
How do interactions between the biosphere, the carbon cycle, and the water cycle impact global warming and interaction between the atmosphere and the hydrosphere?
09 August 2024 3,288 2 View
I have input a moment load in module load Abaqus, i put my moment load on the node surface (using reference point). I have define moment in history output and make a set for moment too. But the...
08 August 2024 4,829 4 View
How is energy cycled through the Earth's climate system and how do matter cycle and energy flow through the rock cycle?
08 August 2024 8,159 0 View
I am calculating the dipole moment (p) of a cluster using Bader charges (q) and cartesian coordinates (r) using the formula p =∑ q.r However, it is not matched when we match it with the Gaussian...
17 March 2024 6,612 0 View
implying that a molecule with a lower dipole moment exhibits lower hyperpolarizability and polarizability compared to one with a higher dipole moment?
07 March 2024 572 2 View
In DFT optimisation output, the dipole moment vales, Mulliken charges are displayed in two places, these are slightly differs from each other. Which one is correct? Any of related experts please...
19 December 2023 6,207 2 View
I try to understand the log file generated after optimization of a molecular structure in the presence of external field. I used the following line in the gjf file: # opt=Z-matrix...
08 December 2023 7,432 2 View
Hi, Folks! I got some angle-dependent IR spectra of a crystal. I would like to make some DFT calculations to interpret these anistropic results. Accurate description of the direction of...
18 September 2023 5,539 2 View
Hi everyone, Does anyone know how to compute transition dipole moment (TDM) between vibronic state using Molpro, Molcas, or Gaussian? An example is to compute TDM between v=1 at the ground state...
06 July 2023 1,281 3 View
The error is Cannot read module file ‘yaml_output.mod’ opened at (1), because it was created by a different version of GNU Fortran compilation terminated.
03 July 2023 9,603 1 View
The log file contains the x, y, and z components of the electric dipole moment (Au) from the ground state to the excited state. Is there a way to convert the units of this electric dipole moment...
29 June 2023 6,189 2 View
generally polar basis set will provide the tensors (dipole moment,polarizability and hyperpolarizability). but how to find their contributions separately
24 June 2023 1,295 6 View
I understood SM is moment per unit width. But i dont know how to get integrated moment at mid span. Then I tried to use free body cut to show mid span moment. (SI unit:force=N,...
21 March 2023 9,033 1 View