Enthalpy difference between conformations of normal alkanes: effects of basis set and chain length on intramolecular basis set superposition error
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268976.2011.558858
Reference69 articles.
1. An Atomic Counterpoise Method for Estimating Inter- and Intramolecular Basis Set Superposition Errors
2. The effect of the basis set superposition error on the geometry optimization of the p-DFB–N2 complex
3. First Principles Examination of the Acetylene−Water Clusters, HCCH−(H2O)x, x = 2, 3, and 4
4. Basis Set Superposition Error Effects Cause the Apparent Nonexistence of the Ethene/Benzenium Ion Complex on the MP2 Potential Energy Surface
5. Non-empirical molecular orbital calculations on the protonation of carbon monoxide
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