In some cases, VEDA does not show the correct calculated freq.
Is it possible to run Gaussiuan16 on GPU without using Linda workers?
11 December 2017 1,303 0 View
I optimized a two-layer ONIOM structure. Is there any scientific support for using part of the optimized structure in freq. calculation?
02 March 2017 1,585 0 View
when do we use charge embed in ONIOM calculation? How do we decide about all or part of structure?
01 February 2016 1,325 1 View
Did anybody face the bond changing after freezing (just heavy atoms) and optimization?
11 December 2015 6,773 0 View
The first pdf file I uploaded had an error. So I uploaded an updated, corrected pdf of that paper with a different pdf name. I dpon't want the old copy to be download or read.
07 August 2024 9,508 1 View
Are there any fluorescently labeled anti-Alpaca secondary antibodies raised in Donkey? So far I have only been able to find anti-Alpaca secondaries raised in Goat. Or is this not possible due to...
04 August 2024 4,255 1 View
I'm trying to calculate the tolerance factors of the hydride perovskite and the value calculated by me and the reported values are contradictory. Need more clarity in using the correct ionic radii...
01 August 2024 2,614 1 View
How to change the displayed full article text to its corrected version? In the file on the page of the journal where I published the article, there was an error in the text, the table is...
30 July 2024 3,229 2 View
The entropy measured of molecular graphs plays a crucial rule. The network structures in some cases are very lengthy calculations to handle. Some author avoid to construct table where as most...
30 July 2024 3,126 0 View
I am writing to request a correction regarding the affiliation of one of my co-authors, Donald Ho. Currently, the author's profile incorrectly lists an affiliation with The Hong Kong Polytechnic...
28 July 2024 6,824 0 View
I have a Polyjet that has passed its labeled expiration date for 1 year and I'm going to re-start transfection experiments. It is really needed to change it? Transfection efficiency may be lower?
23 July 2024 8,059 1 View
The above are manually labeled extrinsic matrices based on the first image It can be seen that the projection error at the edge is large, while the error at the center is small. What could be the...
23 July 2024 7,479 3 View
I need to know the approximate size of my target protein for Negative-stain EM. I have an alpha-fold predicted structure of the protein. I do not see any turtorial on internet for estimating the...
21 July 2024 5,732 3 View
We have mice brains that were over-fixed due to old PFA used during perfusion. Thus, the synapses are no longer being labeled by the Synaptophysin (SY38) mAB. which works perfectly every other...
17 July 2024 7,767 3 View
