Please suggest some literature on Stochastic Frontier Analysis for Climate change impact assessment in Fisheries sector.
Hi,
check
Article Impact of Climate Change on the Technical Efficiency of Stri...
I am optimizing a small organic molecule in a triplet second excited state using TD-DFT in ORCA 5.0. It is giving error termination in SCF gradient. How to get rid of it? Check the error below....
30 April 2024 6,806 6 View
Generally, vibrationally resolved spectra produce multiple peaks, one being the highest in strength and the other smaller humps. Now Gaussian09 generated vib. resolved spectra do not assign it. I...
05 August 2023 9,946 1 View
I am calculating a single point energy of a triplet spin state in quintet geometry. Despite increasing the number of cycles in SCF, the single-point calculation is not converging. Please help me...
23 April 2023 9,052 1 View
Is it possible to spot AI/chatGPT-generated text?
04 April 2023 388 11 View
I am working on a large Fe complex with doublet LS and sextet HS with an intermediate spin of quartet. I want to find the Spin Orbit Coupling. PYSOC does not work for this. Please suggest some...
31 March 2023 7,704 3 View
I am using gamess for SOC calculation. However, I have no idea how to solve it. I would like to know the detailed process with examples of inputs. Thanks in advance.
28 March 2023 3,311 5 View
I am using double hybrid functional b2plyp, b2plyp-d3 for single point excited state calculation with TDDFT method in Gaussian09. It is showing this error: "No CIS or TD with Post-SCF...
22 September 2022 2,215 1 View
I want to scan a particular bond stretching with the CASSCF method in MOLPRO. Although I am confused about how to run it in a single calculation. Please reply if it is possible.
28 July 2022 3,000 0 View
I am facing this problem in Gaussian09 while doing a single point calculation. Small interatomic distances encountered: 6 5 Problem with the distance matrix. Error termination via Lnk1e...
11 February 2022 962 2 View
I want to run a casscf calculation for indole (following J. Am. Chem. Soc. 1996, 118, 185-195) with a different basis set in molpro. I am facing this kind of error ITE MIC NCI NEG...
31 January 2022 6,930 1 View
I would like to learn more about SPSS and Its application especially in regards to data analysis. Please suggest me how I can learn more about it. Thank you so much.
11 August 2024 9,101 4 View
I have reverse sequences (AB1 format), can I base on reverse DNA sequences to perform nucleotide alignment, convert nucleotides to amino acids and deposit the sequence in GenBank database?
11 August 2024 5,138 1 View
Hello, Why do i see this baseline drift when i compare my blank (black) to the sample (blue)? Any suggestions as to why this happened? Thank you!
11 August 2024 3,770 4 View
Willett, Shenoy et al. (2021) have developed a brain computer interface (BCI) that used neural signal collected from the hand area of the motor cortex (area M1) of a paralyzed patient. The...
10 August 2024 7,180 0 View
I'm currently exploring the application of Python in textile engineering, specifically in areas like data analysis, process automation, and the development of smart textiles. I'm interested in...
10 August 2024 7,429 2 View
How can I use the cif data obtained from rietveld refinement extracted via gsas2, for microstructural analysis using ETEX software?
09 August 2024 7,718 0 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 8,162 0 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
A fungal strain was treated with nanoparticles. We want to do an environmental SEM analysis. So could anyone share your views on preparing the sample? Thank you.
07 August 2024 5,307 1 View
Hi, I have a question about normalizing the MTT OD values for doing the statistical analysis. So, if we have 3 different plates and we call them 3 different replicates, so, first we would...
07 August 2024 8,106 4 View