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Molecular Simulation Volume 32, 2006 - Issue 8
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Original Articles

Differentiation of adenine non-planarity in valence molecular orbitals

M. T. Downton Centre for Molecular Simulation, Swinburne University of Technology, PO Box 218, Hawthorn, Melbourne, Victoria, 3122, AustraliaCorrespondence[email protected]
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F. Wang Centre for Molecular Simulation, Swinburne University of Technology, PO Box 218, Hawthorn, Melbourne, Victoria, 3122, AustraliaView further author information
Pages 667-673 | Received 01 Nov 2005, Accepted 01 Dec 2005, Published online: 31 Jan 2007

Citations (8)

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Read on this site (2)

H. Shen. (2007) Thermal-stability and tensile properties of two single-walled Si–H nanotubes. Molecular Simulation 33:11, pages 939-944.
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S. Saha, F. Wang & M. J. Brunger. (2006) Intramolecular proton transfer in adenine imino tautomers. Molecular Simulation 32:15, pages 1261-1270.
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Articles from other publishers (6)

Faig Pashaev, Arzuman Gasanov, Musaver Musaev & Ibrahim Abbasov. (2021) Calculation of One-Electron Wave Functions and Energy Levels of N-Butane Molecule on the Basis of Slater Atomic Orbitals. Proceedings of the Latvian Academy of Sciences. Section B. Natural, Exact, and Applied Sciences. 75:3, pages 229-233.
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Rahman Padash & Shapour Ramazani. (2020) Investigation of stability of adenine and its tautomers in RNA and DNA, and their interaction with Na+, K+, Mg2+, Ca2+ and Zn2+. Journal of Molecular Structure 1222, pages 128698.
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Ewa D. Raczyńska, Mariusz Makowski, Małgorzata Hallmann & Beata Kamińska. (2015) Geometric and energetic consequences of prototropy for adenine and its structural models – a review. RSC Advances 5:46, pages 36587-36604.
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Ewa D. Raczyńska, Mariusz Makowski, Katarzyna Zientara-Rytter, Katarzyna Kolczyńska, Tomasz M. Stępniewski & Małgorzata Hallmann. (2013) Quantum-Chemical Studies on the Favored and Rare Tautomers of Neutral and Redox Adenine. The Journal of Physical Chemistry A 117:7, pages 1548-1559.
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Aravindhan Ganesan, Feng Wang & Chantal Falzon. (2011) Intramolecular interactions of L-phenylalanine: Valence ionization spectra and orbital momentum distributions of its fragment molecules. Journal of Computational Chemistry 32:3, pages 525-535.
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Wiktor Zierkiewicz, Ludwik Komorowski, Danuta Michalska, Jiri Cerny & Pavel Hobza. (2008) The Amino Group in Adenine: MP2 and CCSD(T) Complete Basis Set Limit Calculations of the Planarization Barrier and DFT/B3LYP Study of the Anharmonic Frequencies of Adenine. The Journal of Physical Chemistry B 112:51, pages 16734-16740.
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