(6) Oxidized LUMO beta
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Joaquin Barroso Flores is a member of Chemistry on Mendeley.
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Dear Dr. Barroso: I´m running (using Gaussian) a "# opt freq b3lyp/6-311+g(d,p) pop=full geom=connec
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I am trying to calculate NICS (0 and 1) values for heterocyclic compounds using Gaussain 09. I am pl
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joseph, Can you show me the usage the?
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Dear Dr. Barroso I was looking for a demonstration of why the Coupled Cluster theory in quantum chem
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Dear Dr. Barrosso, I am trying to use cubegen to generate an electrostatic potential cube for some s
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Hello Dr. Barrosso, I have been doing a frequency calculation on amylopectin for three weeks now wit
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Dear barroso, I have run the job "# opt=calcall freq=raman rb3lyp/6-31g(d) nosymm guess=(mix,save) p
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Hi Joaquin, I've been trying to run some backwards and forwards IRC calculations and keep getting th
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