I tried to optimize 4 nickle atoms. And then calculate the binding energy with carbon. I am reproducing people's results in the 90s.
The plan is 1 optimize cluster;2 optimize carbon ;3 optimize cluster + carbon. And then the zero point energy 3-(1+2); Is this the right method?
As we know form junior high school physics, when an object is at twice of focal length f, it could form a same size real image. When an object is placed far from the lens, it would form a smaller...
08 September 2017 1,556 0 View
'A robust SEI layer will prevent further electrolyte solvent reduction on the carbon electrode. However, at elevated temperature, the metastable species ROCO2Li within the SEI layer decomposes...
07 August 2017 1,117 1 View
What is the state of art specifications and requirements for natural graphite anode materials? The DOE seems to be working on Si anode, do they set a goal for graphite anode?
07 August 2017 2,941 0 View
Approximate concentrations are require in compared with the WHO permissible limts
11 August 2024 2,723 1 View
How to develop investments in renewable energy sources?
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Reference dose and Maximum acceptable concentrations HMs
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Hello. Thanks for your consideration to see my question. Recently, I conducted XPS anaylsis of g-CN that is prepared from thermal polycondensation of DCDA, so-called conventional bulk-g-CN,...
30 July 2024 9,824 2 View
I am looking to predict some production for future onshore wind energy production in Portugal, is there any database with info of performances of the existing wind farms in the country? something...
28 July 2024 1,750 1 View
I have different polymer solutions and I hypothesize that water molecules are retained based on the water-polymer interactions, so the amount of free water is less to intercat with drug tablet....
28 July 2024 9,545 6 View
The aim of the research here is to prevent the propagation of the crack in the fabricated elastic medium with useful applications.
25 July 2024 9,976 3 View
I am an undergraduate mechanical engineering student seeking suggestions on topics related to either thermodynamics, fluid mechanics, heat transfer or renewable energy for my final year project....
24 July 2024 4,058 5 View
Is it feasible to employ an artificial sun in the experimental investigation of concentrated solar energy systems, specifically linear Fresnel systems? If the answer is affirmative, what type of...
22 July 2024 9,710 6 View
I performed mmpbsa of protein-protein complex simulation on gromacs. My binding free energy is +166781. This complex is stable when experimentally produced in wet lab. In index.ndx I grouped...
19 July 2024 4,120 5 View