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Ab initio calculations of guanidinium–carboxylate interaction

✍ Scribed by A. M. Sapse; C. S. Russell


Publisher
John Wiley and Sons
Year
1984
Tongue
English
Weight
443 KB
Volume
26
Category
Article
ISSN
0020-7608

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Benzene—O2 interaction potential from ab
✍ Giovanni Granucci; Maurizio Persico 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 550 KB

The interaction potential between benzene and O2 has been computed by means of SCF/MPZ calculations. The dominant attractive interaction is due to dispersion forces, therefore the choice of the basis set has been dictated by the requirement that the polarizabihties of the two partners be correctly r