Search Results for Theoretical and Computational Chemistry.SirsiDynix Enterprisehttps://katalog.hacettepe.edu.tr/client/en_US/default/default/qu$003dTheoretical$002band$002bComputational$002bChemistry.$0026ps$003d300$0026isd$003dtrue?dt=list2024-11-19T13:29:06ZRelativistic electronic structure theoryent://SD_ILS/0/SD_ILS:2527812024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Schwerdtfeger, Peter.<br/>Preferred Shelf Number ONLINE<br/>Electronic Access ScienceDirect <a href="http://www.sciencedirect.com/science/book/9780444512499">http://www.sciencedirect.com/science/book/9780444512499</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Nanomaterials design and simulationent://SD_ILS/0/SD_ILS:1486092024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Balbuena, Perla B. Seminario, J. M.<br/>Preferred Shelf Number ONLINE<br/>Electronic Access ScienceDirect <a href="http://www.sciencedirect.com/science/book/9780444528261">http://www.sciencedirect.com/science/book/9780444528261</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Theoretical aspects of chemical reactivityent://SD_ILS/0/SD_ILS:1486442024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Toro-Labbé, Alejandro.<br/>Preferred Shelf Number ONLINE<br/>Electronic Access ScienceDirect <a href="http://www.sciencedirect.com/science/book/9780444527196">http://www.sciencedirect.com/science/book/9780444527196</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Molecular and nano electronics analysis, design and simulationent://SD_ILS/0/SD_ILS:1485732024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Seminario, J. M.<br/>Preferred Shelf Number ONLINE<br/>Electronic Access ScienceDirect <a href="http://www.sciencedirect.com/science/book/9780444527257">http://www.sciencedirect.com/science/book/9780444527257</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Computational photochemistryent://SD_ILS/0/SD_ILS:2526192024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Olivucci, M. (Massimo)<br/>Preferred Shelf Number ONLINE<br/>Electronic Access ScienceDirect <a href="http://www.sciencedirect.com/science/book/9780444521101">http://www.sciencedirect.com/science/book/9780444521101</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Computational materials scienceent://SD_ILS/0/SD_ILS:2526122024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Leszczynski, Jerzy, 1949-<br/>Preferred Shelf Number ONLINE<br/>Electronic Access ScienceDirect <a href="http://www.sciencedirect.com/science/book/9780444513007">http://www.sciencedirect.com/science/book/9780444513007</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Energetic materials. Part 1, Decomposition, crystal and molecular propertiesent://SD_ILS/0/SD_ILS:2527892024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Politzer, Peter, 1937- Murray, J. S. (Jane S.)<br/>Preferred Shelf Number ONLINE<br/>Electronic Access ScienceDirect <a href="http://www.sciencedirect.com/science/book/9780444515186">http://www.sciencedirect.com/science/book/9780444515186</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Valence bond theoryent://SD_ILS/0/SD_ILS:2527762024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Cooper, D. L.<br/>Preferred Shelf Number ONLINE<br/>Electronic Access ScienceDirect <a href="http://www.sciencedirect.com/science/book/9780444508898">http://www.sciencedirect.com/science/book/9780444508898</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Theoretical biochemistry processes and proterties of biological systemsent://SD_ILS/0/SD_ILS:2527732024-11-19T13:29:06Z2024-11-19T13:29:06ZPreferred Shelf Number ONLINE<br/>Electronic Access ScienceDirect <a href="http://www.sciencedirect.com/science/book/9780444502926">http://www.sciencedirect.com/science/book/9780444502926</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Molecular dynamics from classical to quantum methodsent://SD_ILS/0/SD_ILS:2526552024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Balbuena, Perla B. Seminario, J. M.<br/>Preferred Shelf Number ONLINE<br/>Electronic Access ScienceDirect <a href="http://www.sciencedirect.com/science/book/9780444829108">http://www.sciencedirect.com/science/book/9780444829108</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Computational molecular biologyent://SD_ILS/0/SD_ILS:2526572024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Leszczynski, Jerzy, 1949-<br/>Preferred Shelf Number ONLINE<br/>Electronic Access ScienceDirect <a href="http://www.sciencedirect.com/science/book/9780444500304">http://www.sciencedirect.com/science/book/9780444500304</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Theoretical organic chemistryent://SD_ILS/0/SD_ILS:1113392024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Párkányi, Cyril.<br/>Preferred Shelf Number QD476 .T427 1998 V.5<br/>Format: Books<br/>Availability Beytepe Library~2<br/>Theoretical organic chemistryent://SD_ILS/0/SD_ILS:2526652024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Párkányi, Cyril.<br/>Preferred Shelf Number ONLINE<br/>Electronic Access ScienceDirect <a href="http://www.sciencedirect.com/science/book/9780444826602">http://www.sciencedirect.com/science/book/9780444826602</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Recent developments and applications of modern density functional theoryent://SD_ILS/0/SD_ILS:1123022024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Seminario, J. M.<br/>Preferred Shelf Number QD462.6.D45 R44 1996<br/>Format: Books<br/>Availability Beytepe Library~1<br/>Recent developments and applications of modern density functional theoryent://SD_ILS/0/SD_ILS:2526822024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Seminario, J. M.<br/>Preferred Shelf Number ONLINE<br/>Electronic Access ScienceDirect <a href="http://www.sciencedirect.com/science/book/9780444824042">http://www.sciencedirect.com/science/book/9780444824042</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Molecular electrostatic potentials concepts and applicationsent://SD_ILS/0/SD_ILS:2526992024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Murray, J. S. (Jane S.) Sen, K. D. 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M. Politzer, Peter, 1937-<br/>Preferred Shelf Number ONLINE<br/>Electronic Access ScienceDirect <a href="http://www.sciencedirect.com/science/book/9780444821713">http://www.sciencedirect.com/science/book/9780444821713</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Group Theory Applied to Chemistryent://SD_ILS/0/SD_ILS:3363322024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Ceulemans, Arnout Jozef. author. SpringerLink (Online service)<br/>Preferred Shelf Number ONLINE(336332.1)<br/>Electronic Access <a href="http://dx.doi.org/10.1007/978-94-007-6863-5">http://dx.doi.org/10.1007/978-94-007-6863-5</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Single-ion solvation Experimental and theoretical approaches to elusive thermodynamic quantitiesent://SD_ILS/0/SD_ILS:3441502024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Hunenberger, Philippe H. Reif, Maria M.<br/>Preferred Shelf Number ONLINE(344150.1)<br/>Electronic Access <a href="http://dx.doi.org/10.1039/9781849732222">http://dx.doi.org/10.1039/9781849732222</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Non-covalent interactions Theory and experimentent://SD_ILS/0/SD_ILS:3440422024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Hobza, Pavel. Muller-Dethlefs, Klaus. Hirst, Jonathan. Lim, Carmay. Jordan, Kenneth D.<br/>Preferred Shelf Number ONLINE(344042.1)<br/>Electronic Access <a href="http://dx.doi.org/10.1039/9781847559906">Unspecified, see website description</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Knowledge-based expert systems in chemistry Not counting on computersent://SD_ILS/0/SD_ILS:3440632024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Judson, Phillip. Hirst, Jonathan. Lim, Carmay. Jordan, Kenneth D. Thiel, Walter.<br/>Preferred Shelf Number ONLINE(344063.1)<br/>Electronic Access <a href="http://dx.doi.org/10.1039/9781847559807">Unspecified, see website description</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Energetic materials. Part 2, Detonation, combustionent://SD_ILS/0/SD_ILS:2527902024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Politzer, Peter, 1937- Murray, J. S. (Jane S.)<br/>Preferred Shelf Number ONLINE<br/>Electronic Access ScienceDirect <a href="http://www.sciencedirect.com/science/book/9780444515193">http://www.sciencedirect.com/science/book/9780444515193</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Computational quantum chemistry molecular structure and properties in silicoent://SD_ILS/0/SD_ILS:3431082024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor McDouall, Joseph J. W.<br/>Preferred Shelf Number ONLINE(343108.1)<br/>Electronic Access Ebook Library <a href="http://public.eblib.com/choice/publicfullrecord.aspx?p=1713704">http://public.eblib.com/choice/publicfullrecord.aspx?p=1713704</a>
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<a href="http://swb.eblib.com/patron/FullRecord.aspx?p=1185388">http://swb.eblib.com/patron/FullRecord.aspx?p=1185388</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Pauling's legacy modern modelling of the chemical bondent://SD_ILS/0/SD_ILS:2527012024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Maksić, Z. B. (Zvonimir B.) Orville-Thomas, W. J., 1921-<br/>Preferred Shelf Number ONLINE<br/>Electronic Access ScienceDirect <a href="http://www.sciencedirect.com/science/book/9780444825087">http://www.sciencedirect.com/science/book/9780444825087</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Computational Science and Its Applications - ICCSA 2023 Workshops Athens, Greece, July 3-6, 2023, Proceedings, Part VIIIent://SD_ILS/0/SD_ILS:5210142024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Gervasi, Osvaldo. editor. (orcid) Murgante, Beniamino. editor. (orcid) Rocha, Ana Maria A. C. editor. (orcid) Garau, Chiara. editor. 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Proceedingsent://SD_ILS/0/SD_ILS:5187782024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Phillips, Andrew. editor. Yin, Peng. editor. SpringerLink (Online service)<br/>Preferred Shelf Number XX(518778.1)<br/>Electronic Access <a href="https://doi.org/10.1007/978-3-319-21999-8">https://doi.org/10.1007/978-3-319-21999-8</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Interatomic bonding in solids fundamentals, simulation, applicationsent://SD_ILS/0/SD_ILS:3422122024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Levitin, Valim.<br/>Preferred Shelf Number ONLINE(342212.1)<br/>Electronic Access John Wiley <a href="http://dx.doi.org/10.1002/9783527671557">http://dx.doi.org/10.1002/9783527671557</a><br/>Format: Electronic Resources<br/>Availability Online Library~1<br/>Ionic Liquid Bulk and Interface Properties Electronic Interaction, Molecular Orientation and Growth Characteristicsent://SD_ILS/0/SD_ILS:3327372024-11-19T13:29:06Z2024-11-19T13:29:06ZAuthor Cremer, Till. 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