000			01815nam a2200265Ia 4500
003			OSt
005			20250717103154.0
008			220909b |||||||| |||| 00| 0 eng d
020			_a9783527330218
037			_cTextbook
040			_aCSL _beng _cCSL
041			_aeng
084			_aE:218:(B) Q1;2 TE _qCSL
245		0	_aModelling of molecular properties
260			_aGermany : _bWiley, _c2011.
300			_axxv, 485p. _b: ill.
500			_aIndex 473-485p.
520			_aMolecular modeling encompasses applied theoretical approaches and computational techniques to model structures and properties of molecular compounds and materials in order to predict and / or interpret their properties. The modeling covered in this book ranges from methods for small chemical to large biological molecules and materials. With its comprehensive coverage of important research fields in molecular and materials science, this is a must-have for all organic, inorganic and biochemists as well as materials scientists interested in applied theoretical and computational chemistry. The 28 chapters, written by an international group of experienced theoretically oriented chemists, are grouped into four parts: Theory and Concepts; Applications in Homogeneous Catalysis; Applications in Pharmaceutical and Biological Chemistry; and Applications in Main Group, Organic and Organometallic Chemistry. The various chapters include concept papers, tutorials, and research reports.
650			_a Dicopper catalysts _9815829
650			_a Theoretical investigation _9815830
650			_aUnderstanding NMR _9815828
700			_aComba, Peter _eeditor _9815831
942			_hE:218:(B) Q1;2 TE _cTB _2CC _n0
999			_c8154 _d8154