Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Practical crystal engineering using halogen bonding: A hierarchy based on calculated molecular electrostatic potential surfacesAakeröy, Christer B. ; Wijethunga, Tharanga K. ; Desper, JohnJournal of molecular structure, 2014-08, Vol.1072, p.20-27 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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2 |
Material Type: Artigo
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Molecular structure and conformational composition of methyl chloroacetate: An electron-diffraction and ab initio molecular orbital investigationAarset, Kirsten ; Boldermo, Kjell Gunnar ; Hagen, KolbjørnJournal of molecular structure, 2010-08, Vol.978 (1), p.104-107 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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3 |
Material Type: Artigo
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Molecular structure and conformation of phenylacetyl chloride as obtained by gas-phase electron diffraction and theoretical calculationsAarset, Kirsten ; Hagen, KolbjørnJournal of molecular structure, 2008-12, Vol.892 (1), p.373-377 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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4 |
Material Type: Artigo
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The molecular structure of propylene sulphide (methylthiirane) by gas-phase electron diffraction and theoretical calculations: A molecule used in MOCVDAarset, Kirsten ; Page, Elizabeth M. ; Rice, David A.Journal of molecular structure, 2011-09, Vol.1002 (1), p.19-23 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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5 |
Material Type: Artigo
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Unveiling structural features, chemical reactivity, and bioactivity of a newly synthesized purine derivative through crystallography and computational approachesAbad, Nadeem ; Buhlak, Shafeek ; Hajji, Melek ; Saffour, Sana ; Akachar, Jihane ; Kesgun, Yunus ; Al-Ghulikah, Hanan ; Hanashalshahaby, Essam ; Turkez, Hasan ; Mardinoglu, AdilJournal of molecular structure, 2024-09, Vol.1311, p.138400, Article 138400 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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6 |
Material Type: Artigo
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Synthesis, DFT/TD-DFT theoretical studies, experimental characterization, electrochemical and antioxidant activity of Fe(III) complexes of bis (dimethylglyoximato) guanineAbane-Merzouk, Lamia ; Adkhis, Ahmed ; Terrachet-Bouaziz, Souhila ; Makhloufi-Chebli, MalikaJournal of molecular structure, 2019-06, Vol.1186, p.413-422 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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7 |
Material Type: Artigo
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In-situ synthesis of dinuclear Iron (III) complex; Crystal structure, DFT calculations, Hirshfield surface analysis, and molecular dockingAbbas, Ghulam ; Franco, Francisco C. ; Janani, S. ; Mishma, J.N. Cheerlin ; Manikandan, A. ; Muthu, S. ; Anson, Christopher E.Journal of molecular structure, 2024-02, Vol.1297, p.136933, Article 136933 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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8 |
Material Type: Artigo
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Synthesis, X-ray crystal structure and spin polarized DFT study of high spin Mn based metal-organic frameworkAbbas, Saghir ; Ayub, Khurshid ; Sohail, Manzar ; Ali, Saqib ; Ludwig, Ralf ; Nadeem, Muhammad Arif ; Muhammad, ShabbirJournal of molecular structure, 2019-01, Vol.1175, p.439-444 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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9 |
Material Type: Artigo
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Synthesis of new tridentate 5-(arylazo) salicylaldimine ligands and their Cu (II) complexesAbbas, Samir Y. ; Basyouni, Wahid M. ; El-Bayouki, Khairy A.M.Journal of molecular structure, 2013-10, Vol.1050, p.192-196 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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10 |
Material Type: Artigo
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(E)-3-(2-(furan-ylmethylene)hydrazinyl)-3-oxo-N-(thiazol-2yl)propanamide complexes: Synthesis, characterization and antimicrobial studiesAbd El-Hady, M.N. ; Zaky, R.R. ; Ibrahim, K.M. ; Gomaa, E.A.Journal of molecular structure, 2012-05, Vol.1016, p.169-180 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |