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LordStryker

In our lab, we take things to the limit... the CBS limit.

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34 Natural Bond Orbital analysis: Significance of stabilization energy determined by 2nd order perturbation May 9 '14
33 Is there an energy cost associated with flipping the spin of an electron? Apr 4 '14
33 What do the quantum numbers actually signify? May 18 '15
31 Suggest methods and basis sets for a variety of systems Jan 21 '14
27 Dipole moment of cis-2-butene Sep 16 '14
23 How can I determine if there are π-π interactions between an amide and an aromatic ring in a protein? Apr 25 '12
23 Pros and cons of Cartesian vs. Z-matrix representations of molecules? May 1 '12
17 How to find a transition state for an electrophilic addition with Gaussian and map the reaction pathway? May 24 '13
13 Why are the total energies of transition states so commonly corrected for zero-point vibrational energy? Oct 22 '13
12 How to explain the dipole moment anomaly of methyl fluoride and methyl chloride with respect to their hydracids? May 15 '15
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