Rocbs Convergence failure Error termination via Lnk1e in /home/g09/g09/l502.exe

06 June 2017 0 6K Report

#P ROCCSD(T,T1diag,conver=5,maxcycle=200)/6-31+G(d') Geom=AllCheck Guess=Read scf(maxcycle=1000)

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Basis set and input instruction to calculate HOMO and LUMO using Orca for Imidazolium based organic salts?

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GC-MS retention index prediticon?

Hello experts, Does anyone know any free software about retention index prediction ?

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How to calculate CCS for Sodiated adduct ions and Multiply Charged Ions?

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1. If I can quantize the atom using this hyperbolic spiral and classical physics, could nature do the same?

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How are iso-frequency contours plotted?

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Can anyone provide me with molecular docking softwares/ websites?

Molecular docking software/ websites?

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My frequency output shows no errors, however, there's no frequency as a result on gausview. Does anyone know what I'm doing wrong?

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Inquiry on Maximum Nucleic Acid Volume for 2.5 mL Liposome Solution?

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30 July 2024 6,420 1 View

CAD File of human's & rat's respiratory airways ?

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29 July 2024 1,092 2 View

I am working on my Master's thesis on the biogeography of the genus Ruagea and I would like to ask, could someone help me to check whether my result?

I created a file with my outgroup and ingroup species using Beauti, ran it in BEAST, viewed it in Tracer, and then used TreeAnnotator to create a file that I imported into RASP. Could someone...

28 July 2024 2,979 1 View