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Performance of empirical potentials (AMBER,CFF95, CVFF,CHARMM, OPLS,POLTEV), semiempirical quantum chemical methods (AM1, MNDO/M,PM3), and ab initio Hartree–Fock method for interaction of DNA bases: Comparison with nonempirical beyond Hartree–Fock results |
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| Authors: | Pavel Hobza,Martin Kabelá č ,Jiř í Š poner,Petr Mejzlí k,Jiř í Vondrá š ek |
| Abstract: | |
| Keywords: | empirical force fields semiempirical quantum chemical methods ab initio SCF with dispersion energy H-bonded and stacked DNA base pairs |