More clearly, I would like to understand that, with change of pH of the solution, how energy (may be thermo dynamical constraint) will be modified and what is the logic behind of it? Please help me and give me at least one reference.
How can I calculate alpha singly occupied molecular orbital and beta singly occupied molecular orbital from Gaussian? Kindly provide me the input and output details to interpret the matter suitably...
07 August 2016 6,576 2 View
I like to know, in the case of cation-Pi interaction of the metal with the ligands/peptide formed by the contribution of charge transfer or not? Actually, in more details, in NBO calculation, the...
02 March 2016 337 2 View
Can you anybody tell me, what will be the value of charge and multiplicity of radical cation and dehydrogenated radical cation for the calculation in Gaussian?
09 October 2015 1,680 7 View
For the COOP function I get a message that indicates the program cannot find my Group.txt file even though I have systematically placed a copy in every folder within the Gaussum directory. Can you...
08 September 2014 414 5 View
Hello, I suspect that a molecule I am using is causing bacteria to experience osmotic shock. What chemical properties should I look for to compare this capability with those of other substances?...
06 August 2024 977 1 View
How do I calculate the stock solution to apply 100 uM MeJA for 1000 ml of plant nutrient medium ?
01 August 2024 723 0 View
The delta function seems produce logical contradictions when analyzed on a fundamental level. I would be curious if anyone else agrees.
31 July 2024 10,109 3 View
We are working on biopolymeric hydrogels. Our system is highly viscous and sticky, and the gel formed are high in strength. We are unable to use pH electrode and pH strip. Please suggest an easy...
30 July 2024 942 2 View
Hello everyone! How can i prepare EDTA buffer solution (pH 8.2) to determine GSH levels? Thank you in advance.
29 July 2024 4,374 1 View
I want to preserve the sample leaves for the LM study of the stomata and conidia analysis. Whether 2.5% glutaraldehyde in 0.05 M phosphate buffer with pH 7 can be applied for preservation.
29 July 2024 8,560 0 View
I have been harvesting monocyte-derived macrophages from buffalo and cattle fresh whole blood using the same protocol for years and getting good macrophage cultures. Below is the protocol that I...
23 July 2024 4,074 2 View
// interested in the difference between floating events and short circuits.
22 July 2024 6,565 0 View
I have used 30 years of daily data, but the model is not able to optimize, getting just 0.57 in NSE and R2. when I reduced the data to 20 years in daily time frame I got 0.73 in NSE, R2 for both...
22 July 2024 669 0 View
How can the economic value of digestate management, utilization, and regulation, can spark interesting discussions and explorations? so one can list down the details and we can discuss in length...
17 July 2024 3,255 4 View