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http://hdl.handle.net/20.500.12188/1645| Title: | Comparison of methods for solving the vibrational Schrödinger equation in the course of sequential Monte-Carlo-quantum mechanical treatment of hydroxide ion hydration | Authors: | J. Petreska, Lj. Pejov | Keywords: | hydroxide ion; ionic water solutions; solvation; hydrogen bonds; intermolecular interactions; anharmonic O–H vibrational frequency shifts; Monte-Carlo simulation; Fourier grid; Hamiltonian method; Numerov algorithm; diagonalization of Hamiltonian matrix | Issue Date: | 22-Oct-2010 | Journal: | Macedonian Journal of Chemistry and Chemical Engineering | URI: | http://hdl.handle.net/20.500.12188/1645 |
| Appears in Collections: | Faculty of Natural Sciences and Mathematics: Journal Articles |
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