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Chemistry
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Electronic Structure Of Atoms, Molecules And Their Ions: Theory
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Electronic Structure Of Atoms, Molecules And Their Ions: Theory
| Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
|---|---|---|---|
| 1 |
Material Type: Article
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Electronic polarization of liquid water: converged Monte Carlo-quantum mechanics results for the multipole momentsCoutinho, K ; Guedes, R.C ; Costa Cabral, B.J ; Canuto, SylvioChemical physics letters, 2003-02, Vol.369 (3), p.345-353 [Peer Reviewed Journal]Amsterdam: Elsevier B.VFull text available |
| 2 |
Material Type: Article
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The electronic spectrum of N-methylacetamide in aqueous solution: a sequential Monte Carlo/quantum mechanical studyRocha, Willian R ; De Almeida, Katia J ; Coutinho, K ; Canuto, SylvioChemical physics letters, 2001-09, Vol.345 (1), p.171-178 [Peer Reviewed Journal]Amsterdam: Elsevier B.VFull text available |
| 3 |
Material Type: Article
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An efficient quantum mechanical/molecular mechanics Monte Carlo simulation of liquid waterRocha, Willian R. ; Coutinho, Kaline ; de Almeida, Wagner B. ; Canuto, SylvioChemical physics letters, 2001-02, Vol.335 (1), p.127-133 [Peer Reviewed Journal]Amsterdam: Elsevier B.VFull text available |
| 4 |
Material Type: Article
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A Monte Carlo-quantum mechanical study of the solvatochromism of pyrimidine in water and in carbon tetrachlorideDE ALMEIDA, Katia J ; COUTINBO, Kaline ; DE ALMEIDA, Wagner B ; ROCHA, William R ; CANUTO, SylvioPhysical chemistry chemical physics : PCCP, 2001, Vol.3 (9), p.1583-1587 [Peer Reviewed Journal]Cambridge: Royal Society of ChemistryFull text available |
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- Effects Of Atomic And Molecular Interactions On Electronic Structure (3)
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