000			02005nam a2200277Ia 4500
003			OSt
005			20250813154800.0
008			220909b |||||||| |||| 00| 0 eng d
020			_a9781118291924
037			_cTextbook
040			_aCSL _beng _cCSL
041			_aeng
084			_aE5:(9S) P7;Q4;2 TE _qCSL
100			_aBachrach, Steven M _eauthor
245		0	_c/ by Steven M Bachrach _aComputational organic chemistry
250			_a2nd ed.
260			_aWest Sessex : _bJohn Wiley, _c2014.
300			_axxi, 607p. _b: ill.
500			_aIndex 599-607p.
520			_aThe Second Edition of author Steven Bachrach’s highly acclaimed Computational Organic Chemistry reflects the tremendous advances in computational methods since the publication of the First Edition, explaining how these advances have shaped our current understanding of organic chemistry. Readers familiar with the First Edition will discover new and revised material in all chapters, including new case studies and examples. There’s also a new chapter dedicated to computational enzymology that demonstrates how principles of quantum mechanics applied to organic reactions can be extended to biological systems. Computational Organic Chemistry covers a broad range of problems and challenges in organic chemistry where computational chemistry has played a significant role in developing new theories or where it has provided additional evidence to support experimentally derived insights. Readers do not have to be experts in quantum mechanics. The first chapter of the book introduces all of the major theoretical concepts and definitions of quantum mechanics followed by a chapter dedicated to computed spectral properties and structure identification.
650			_a Organic reaction dynamic _9817911
650			_a Understanding enzymes _9817912
650			_aPericyclic reactions
942			_hE5:(9S) P7;Q4;2 TE _cTB _2CC _n0
999			_c16787 _d16787