DFT calculations on covalent organic framework?

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I have a time series data of some biochemical studies ( DNA and Chromosomal damage) which I intend to use to further predict into future ?

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No mRNA increase in PCR after successful transfection in ARPE-19 cells ?

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04 February 2021 2,047 4 View

What is the easiest way to remove the water from organic solvents?

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03 February 2021 2,154 8 View

Virus neutralization assay in BSL2 lab?

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Using LINK11 to Apply force in ANSYS APDL?

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Cytoflex Flowcytometer, clotting issues and cleaning procedures?

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After a reference from Int J Body Compos Res, can any body help?

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Irradiation data for JAPAN?

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Chlorinated organic formation in odor control scrubbers using hypochlorite?

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Ester cleavage conditions?

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Does any one can help me choose a reasonable basis set for intermediate metal ions interactions with guanine (i.e Fe2+, Mn2+, Cu2+ and exc.)?

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Can polymer concentrations be calculated based on the number average molecular weight?

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RIA. How to measure?

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How to calculate Ligand-active site distance in a ligand-protein complex from MD simulation?

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Why do the air flow results vary totally when adding scalar in CFD ?

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How to model Supercritical water gasification (SCWG) process in Homer software?

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25 February 2021 4,075 1 View

Sivasanker K a

most perferred is MP2.If not computationally possible you can use B3LYP or HF.The Basis set depends upon the atom/ligand.If H,C,N,O,F,Cl also present def2-TVZP is fine

You can use this website for basis set

https://www.basissetexchange.org/

Silpa Elizabeth Peter

Thank you sir

Aashish Bhatt