Subject: 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

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Year: 2010

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Type: Article

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Title: Comparison of methods for solving the vibrational Schrödinger equation in the course of sequential Monte-Carlo-quantum mechanical treatment of hydroxide ion hydration

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Author: J. Petreska, Lj. Pejov

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Abstract:

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Publisher:

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Relation: Macedonian Journal of Chemistry and Chemical Engineering

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Identifier: oai:repository.ukim.mk:20.500.12188/1645
Identifier: http://hdl.handle.net/20.500.12188/1645

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