One by one the interactions with the cavity were calculated
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Joaquin Barroso Flores is a member of Chemistry on Mendeley.
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Dear friend Thanks for the interesting message. good luck and best wishes! Ionel Haiduc
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Dear Professor, Greetings to you. I did the TS search in the gas phase using the b3lyp/6-311++g(d,p)
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dear Professor, I would appreciate it if you could explain to me how to define a 1.2 M hydrochloric
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Hello Sir, Using tddft gaussian, I am investigating the photochemical reactions. The aromatic compou
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Hi, I have a query on how to observe the "Effect of Applied Electric Field" using Gaussian as it is
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Hello sir, I tried to obtain NTOs using the method you mentioned and my calculation ran successfully
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Hi, I have another question about HOMO and LUMO for openshell molecules. Let say I am interested to
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