000 03082nam a22004455i 4500
001 978-94-007-0711-5
003 DE-He213
005 20140220083338.0
007 cr nn 008mamaa
008 120111s2012 ne | s |||| 0|eng d
020 _a9789400707115
_9978-94-007-0711-5
024 7 _a10.1007/978-94-007-0711-5
_2doi
050 4 _aQD450-801
072 7 _aPNRP
_2bicssc
072 7 _aSCI013050
_2bisacsh
082 0 4 _a541.2
_223
100 1 _aLeszczynski, Jerzy.
_eeditor.
245 1 0 _aHandbook of Computational Chemistry
_h[electronic resource] /
_cedited by Jerzy Leszczynski.
264 1 _aDordrecht :
_bSpringer Netherlands,
_c2012.
300 _aXX, 1430p. eReference. In 3 volumes, not available separately.
_bonline resource.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
_bPDF
_2rda
520 _aThe role the Handbook of Computational Chemistry is threefold. It is primarily intended to be used as a guide that navigates the user through the plethora of computational methods currently in use; it explains their limitations and advantages; and it provides various examples of their important and varied applications. This reference work is presented in three volumes. Volume I introduces the different methods used in computational chemistry.  Basic assumptions common to the majority of computational methods based on molecular, quantum, or statistical mechanics are outlined and special attention is paid to the limits of their applicability.  Volume II portrays the applications of computational methods to model systems and discusses in detail molecular structures, the modelling of various properties of molecules and chemical reactions. Both ground and excited states properties are covered in the gas phase as well as in solution. This volume also describes Nanomaterials and covers topics such as clusters, periodic, and nano systems. Special emphasis is placed on the environmental effects of nanostructures. Volume III is devoted to the important class of Biomolecules. Useful models of biological systems considered by computational chemists are provided and RNA, DNA and proteins are discussed in detail. This volume presents examples of calcualtions of their properties and interactions and reveals the role of solvents in biologically important reactions as well as the structure function relationship of various classes of Biomolecules.
650 0 _aChemistry.
650 0 _aBiology
_xData processing.
650 0 _aNanotechnology.
650 1 4 _aChemistry.
650 2 4 _aTheoretical and Computational Chemistry.
650 2 4 _aNanotechnology.
650 2 4 _aComputer Appl. in Life Sciences.
650 2 4 _aTheoretical, Mathematical and Computational Physics.
710 2 _aSpringerLink (Online service)
773 0 _tSpringer eBooks
776 0 8 _iPrinted edition:
_z9789400707108
856 4 0 _uhttp://dx.doi.org/10.1007/978-94-007-0711-5
912 _aZDB-2-CMS
999 _c104279
_d104279