Liquid crystal based biosensor using Spectroscopic methods ( Like Raman, FTIR ) or any other techniques or approach?
Sensing objectes : Cancer cell, glucose in the blood , Uric acid , cholesterol etc
How to get full vibrational analysis assignment data table for Raman and IR?? Is there any data base or PDF available , which listed all the vibrational assignments detail? Is there any free...
06 July 2017 6,253 3 View
s 24 1.00 TORS 10 4 5 6 HCCC -180.00 f707 100k 25 1.00 TORS 9 3 4 10 HCCH 0.00 f1002 88 s 26 1.00 TORS 7 1 6 5 HCCC -180.00 f885 81...
04 May 2017 6,374 4 View
I am trying to find the polarizability and hyperpolarizability using gaussian . Output that I got was given below in this massege , but i faced problem to identify the values of polarizability and...
03 April 2017 1,693 12 View
How to calculate the polarizability using DFT Gaussian 09? http://www.tandfonline.com/doi/abs/10.1080/02678292.2012.757814 In the given linked paper they calculate the polarizabity using DFT...
03 April 2017 4,837 4 View
I have (real and imaginary )impedance and theta value. But i want to calculate real and imaginary dielectric .
02 March 2016 9,213 1 View
What kind of basis setup is suitable for dimeric liquid crystal DFT approach(Using Gaussian 09 software). I tried but it showed the error. The error file is attached below. Any one please help...
02 March 2016 8,534 4 View
How can I resolve the ' l502.exe' error in Gaussian 09?
02 March 2016 4,923 4 View
Can anyone explain this method? Especially the last statement where it says only at 1.5 to 2.5mins was the MS/MS connected to the UPLC. How is that possible, is it a feature in this specific...
11 August 2024 8,141 3 View
Fatal error in MPI_Allreduce: Other MPI error, error stack: MPI_Allreduce(1628)......: MPI_Allreduce(sbuf=000002459254A180, rbuf=000002459F86A140, count=4851, MPI_DOUBLE_COMPLEX, MPI_SUM,...
09 August 2024 7,615 1 View
I'm currently working on calculating the collision cross section (CCS) for various ions, and I'm facing challenges when dealing with sodiated and multiply charged ions. Most of the resources I’ve...
08 August 2024 8,329 0 View
If we map as a continuous motion an ionising electron (beginning its journey at n=1) in an H atom, a specific hyperbolic spiral appears (see animation). When we solve this spiral formula, we find...
07 August 2024 5,343 2 View
Let's say we have a standard, regular hexagonal honeycomb with a 3-arm primitive unit cell (something like the figure attached; the figure is only representative and not drawn to scale). The...
07 August 2024 1,937 1 View
Hello What should be done to separate and identify organic acids in HPC when their RetTime is the same?Like oxalic acid with Propanoic Acid.or acids that have a very close RetTime.
07 August 2024 8,782 3 View
What is the prepared reference material that can be used in the ICPE-9820 Shimadzu Japan instrument, which employs inductively coupled plasma optical emission spectrometry (ICP-OES) to measure...
06 August 2024 1,896 1 View
Are there any suggestions or insights you can provide to help address this problem
06 August 2024 1,443 2 View
During low-temperature testing, new diffraction peaks that appear could be indicative of several phenomena. In one of our tests, we observed notable new peaks around 40° and 45° in a specific...
06 August 2024 726 3 View
Palmitic acid presence in aqueous fraction
05 August 2024 8,624 4 View