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LEADER: 05771cam 2200925Ia 4500
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024 7 $a10.1002/0471474908$2doi
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082 04 $a541.2/2/02855365$222
100 1 $aRogers, Donald,$d1932-
245 10 $aComputational chemistry using the PC /$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.
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650 7 $aChemistry$xMathematics.$2fast$0(OCoLC)fst00853398
653 $aComputational chemistry molecular modeling$aComputing special topics.
655 4 $aElectronic books.
776 08 $iPrint version:$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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