Computational Quantum Chemistry: Molecular Structure and Properties In Silico
Joseph J W McDouall
Nov 2015 · Theoretical and Computational Chemistry Series Ibhuku elingu-5 · Royal Society of Chemistry
I-Ebook
292
Amakhasi
reportIzilinganiso nezibuyekezo aziqinisekisiwe Funda Kabanzi
Mayelana nale ebook
Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the scope of conventional chemistry education. This professional reference book provides a comprehensive introduction to the field. Postgraduate students and experienced researchers alike will appreciate Joseph McDouall's engaging writing style. The book is divided into five chapters, each providing a major aspect of the field. Electronic structure methods, the computation of molecular properties, methods for analysing the output from computations and the importance of relativistic effects on molecular properties are also discussed. Links to the websites of widely used software packages are provided so that the reader can gain first hand experience of using the techniques described in the book.
Nikeza le ebook isilinganiso
Sitshele ukuthi ucabangani.
Ulwazi lokufunda
Amasmathifoni namathebulethi
Faka uhlelo lokusebenza lwe-Google Play Amabhuku lwe-Android ne-iPad/iPhone. Livunyelaniswa ngokuzenzakalela ne-akhawunti yakho liphinde likuvumele ukuthi ufunde uxhunywe ku-inthanethi noma ungaxhunyiwe noma ngabe ukuphi.
Amakhompyutha aphathekayo namakhompyutha
Ungalalela ama-audiobook athengwe ku-Google Play usebenzisa isiphequluli sewebhu sekhompuyutha yakho.
Ama-eReaders namanye amadivayisi
Ukuze ufunde kumadivayisi e-e-ink afana ne-Kobo eReaders, uzodinga ukudawuniloda ifayela futhi ulidlulisele kudivayisi yakho. Landela imiyalelo Yesikhungo Sosizo eningiliziwe ukuze udlulise amafayela kuma-eReader asekelwayo.
