I'm trying to optimize a complex molecule (C32H41N5O9) (a textile dye molecule bonded to bio-polymer).
Should I use SCF key word for the optimization or not. If I should use the SCF key word what should I used?
I'm trying to dissolve silica gel (use for Chromatography) using solvents or mixture of solvents. My main intention dissolve silica gel and incorporate the biosorbent. and evaporate the solvent,...
04 May 2014 7,726 4 View
Is DCFDA appropriate for measuring total ROS production, or can it only detect certain types of ROS? If I want to measure total ROS production, which dye should I use?
01 March 2021 9,447 3 View
Is Hoechst toxic to cells? In general, it is known as non-toxic. I am working with dsRED MDA-MB-231 cell line. I applied it for my PDMS-based microfluidic platform, for this reason, I incubated...
26 February 2021 9,119 3 View
When I run the job for TS(QST3) in gaseous phase, it was completed without any error. But when I add water in CPCM model it terminated with an error: Inconsistency: ModMin= 2 Eigenvalue=...
21 February 2021 3,198 2 View
Hello, I'm working on removal of methylene blue. 01. in the dark test very first reading is taken 15 minutes after adding adsorbent to the dye solution and that UV absorbance reading is very...
19 February 2021 472 5 View
Dear friends, I am a beginner at DFT calculation. I have done a structure optimization using DFT- B3LYP/6-31G*, Nevertheless, I don't know How to calculate the Atomic Polar Tensor (APT) in...
17 February 2021 9,082 3 View
Hi there, my lab recently opted to use LavaLAMP from Lucigen instead of the Warmstart kit from NEB. However, Lucigen has yet to create a colormetric kit for RT-LAMP, and adding phenol-Red (pH...
17 February 2021 5,399 1 View
Hello everyone, I want to perform some gaussian calculations and want to use Materials studio for my research work. Can anyone guide me how to get access to supercomputer resources in India for...
15 February 2021 8,264 3 View
Support vector machine
09 February 2021 6,405 3 View
Hi, In literature I noticed that who stains haemocytes with FDA for 30 min then stop the reaction in ice while this does not apply for 15 min incubation time (or maybe authors did not write this...
08 February 2021 3,366 3 View
DFT - gaussviev - gaussian09W - HOMO - LUMO
08 February 2021 6,012 5 View