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Hybrid molecular mechanics: For effective crystal field method for modeling potential energy surfaces of transition metal complexes |
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| Authors: | M B Darhovskii M G Razumov I V Pletnev A L Tchougreff |
| Institution: | M. B. Darhovskii,M. G. Razumov,I. V. Pletnev,A. L. Tchougréeff |
| Abstract: | |
| Keywords: | effective crystal field transition metal complexes potential energy surfaces quantum mechanics/molecular mechanics |