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Questions related from Koushik Mondal
How to draw a scaled potential energy surface? Powerpoint does not give a proper one. I know about 2 programmes which can do that - (i) PES Viewer and (ii) Mecha SVG. Does anyone know any better...
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I was trying to optimize a hydrocarbon (ester) with 10 atoms at MP2/6-311++G(d,p) and every time I am getting this error with Gau-*.rwf files getting populated. Does anybody know an exact...
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I am looking for data of recent global emissions of important volatile organic compounds in to the atmosphere both from natural and anthropogenic sources. Is there any database available?
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I am trying to optimise anthracene in D2h point group, but every time after the optimisation is complete it shows as a C1 point group. How to fix that? I want the molecule to be optimised at D2h...
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I am trying to perform Gaussian optimization of a polymeric structure with 250 atoms. It is made up of only C and H atoms with several aromatic phenyl ring interlinked by C=C. Every time I am...
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What keywords should I use for interpolated single point energy calculations at CC level of theory in Gaussian 16 using DEF2TZVPPD basis set?
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I want to detect bromine (Br2) gas using Gas Chromatography coupled with Mass Spectrometry (GC-MS). Which GC column should I use for this purpose?
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