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It will be of immense help if someone can kindly guide me about how the second-hyperpolarizability and hyperpolarizability can be calculated using Gaussian 09 program. A guide for the keyword in...
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How can I perform the optimization of a radical in Broken-Symmetry UDFT (BS-UDFT) method in Gaussian? Can anyone kindly help me with the Gaussian input requirement?
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I am trying to run a OPT+FREQ job in Gaussian09 with the following keywords: # B3LYP/6-311++G(d,p) opt freq empiricaldispersion=GD3 But the job is showing a 'syntax error in input line'. Can...
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How can I plot ring current density maps using a software in windows machine? It will be of great help if someone can let me know about the steps to this effect, for example in AIMALL software.
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How can I calculate magnetic susceptibility by NMR=giao method in Gaussian09?
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What is the correct command for calculation of MAGNETIC SUSCEPTIBILITY in Gaussian 09?
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Is it possible that a dye binds to DNA (double stranded) by intercalation but to RNA (double stranded), intercalation does not occur (with the same dye)?
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How does one calculate magnetic susceptibility in gaussian09? What is the appropriate command line, and how to read the output file? Any suggestion will be immensely helpful.
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