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Jump to: 2013 Number of items: 2. 2013Ferenczy, György G. (2013) Calculation of Wave-functions with Frozen Orbitals in Mixed Quantum Mechanics/Molecular Mechanics methods. I. Application of the Huzinaga Equation. Journal of Computational Chemistry, 34. pp. 854-861. ISSN 0192-8651 Ferenczy, György G. (2013) Calculation of Wave-functions with Frozen Orbitals in Mixed Quantum Mechanics/Molecular Mechanics methods. II. Application of the Local Basis Equation. Journal of Computational Chemistry, 34. pp. 862-869. ISSN 0192-8651 |