הקשר הכימי -2019

With a bigger basis set the DFT energy of a molecule A will be

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Which spin function is part of the triplet?

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The coefficients of the HOMO of butadiene are (according to Hückel):

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In Hückel, which one is not correct?

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יש בעיה בשאלה זו כי באמת הכל נכון תלוי בהגדרה של i j . הכוונה פה מדובר בפחמנים שכנים ולכן B זאת התשובה

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The “principle of complementarity” says that Quantum objects have properties which cannot be observed or measured simultaneously.

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A פאי bond cannot be done between

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יחס החילוף הנכון הוא

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Which one is not a component of a molecular mechanics method?

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Which method is the most time consuming?

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In a “Full CI” computation, which term is taken into account?

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Discuss, Learn and be Happy דיון בשאלות

With a bigger basis set the DFT energy of a molecule A will be

Which spin function is part of the triplet?

The coefficients of the HOMO of butadiene are (according to Hückel):

In Hückel, which one is not correct?

The “principle of complementarity” says that Quantum objects have properties which cannot be observed or measured simultaneously.

A פאי bond cannot be done between

יחס החילוף הנכון הוא

Which one is not a component of a molecular mechanics method?

Which method is the most time consuming?

In a “Full CI” computation, which term is taken into account?