Computational Chemistry Comparison and Benchmark DataBase Release 18 (October 2016) Standard Reference Database 101 National Institute of Standards and Technology | |
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Title | Journal | Volume | Issue | Pages | Year | Authors |
---|---|---|---|---|---|---|
Comparison of atomic charges derived via different procedures | J. Comp. Chem. | 14 | 2 | 1504-1518 | 1993 | KB Wiberg, PR Rablen |
The accuracy of molecular dipole moments in standard electronic structure calculations | Chem. Phys. Lett | 319 | 563-568 | 2000 | J Gauss, J Olsen, KL Bak, P Jorgensen, T Helgaker |
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