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090 _aebook
100 1 _aRogers, Donald,
_d1932-
245 1 0 _aComputational chemistry using the PC /
_cDonald W. Rogers.
250 _a3rd ed.
260 _aHoboken, N.J. :
_bWiley-Interscience,
_c©2003.
300 _a1 online resource (xx, 349 pages) :
_billustrations
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
504 _aIncludes bibliographical references (pages 333-338) and index.
505 0 _aComputational Chemistry Using the PC Third Edition; Contents; Preface to the Third Edition; Preface to the Second Edition; Preface to the First Edition; Chapter 1. Iterative Methods; Chapter 2. Applications of Matrix Algebra; Chapter 3. Curve Fitting; Chapter 4. Molecular Mechanics: Basic Theory; Chapter 5. Molecular Mechanics II: Applications; Chapter 6. Huckel Molecular Orbital Theory I: Eigenvalues; Chapter 7. Huckel Molecular Orbital Theory II: Eigenvectors; Chapter 8. Self-Consistent Fields; Chapter 9. Semiempirical Calculations on Larger Molecules.
520 _aThis work focuses on the theory and applications of molecular modelling. A mathematical introduction, practice problems in every chapter, laboratory exercises and small research projects provide the student with the tools needed to succeed in computational chemistry.
588 0 _aPrint version record.
650 0 _aChemistry
_xData processing.
650 0 _aChemistry
_xMathematics.
653 _aComputational chemistry molecular modeling
_aComputing special topics.
655 4 _aElectronic books.
773 0 _tWiley e-books.
776 0 8 _iPrint version:
_aRogers, Donald, 1932-
_tComputational chemistry using the PC.
_b3rd ed.
_dHoboken, N.J. : Wiley-Interscience, ©2003
_z0471428000
_w(DLC) 2003011758
_w(OCoLC)52312484
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