000			01476 am a2200301 i 4500
008			940901s1994 nyua b 001 0 eng
010			_a94035434 //r96
020			_a1560816724 _q(acid-free paper)
035			_a(OCoLC)
040			_aDLC _beng _cDLC _dUKM _dBAUN _erda
049			_aBAUN_MERKEZ
050	0	4	_aQD39.3.E46 _bR64 1994
100	1		_aRogers, Donald, _d1932- _9104163 _eaut
245	1	0	_aComputational chemistry using the PC / _cDonald W. Rogers
250			_a2nd ed
264		1	_aNew York, N.Y. : _bVCH, _c[1994]
264		4	_c©1994
300			_axiv, 247 pages : _billustrations ; _c25 cm.
336			_2rdacontent _atext _btxt
337			_2rdamedia _aunmediated _bn
338			_2rdacarrier _avolume _bnc
504			_aIncludes bibliographical references and index
505	0	0	_t1.Iterative Methods _t2. Numerical Integration _t3. Matrices _t4. Linear Nonhomogeneous Simultaneous Equations _t5. Curve Fitting _t6. Multivariate Least Squares Analysis _t7. Molecular Orbital Calculations: Eigenvalues _t8. Molecular Orbital Calculations: Eigenvectors _t9. Self-Consistent Field Theory _t10. Molecular Mechanics _t11. Elements of Computer Graphics _t12. Molecular Quantum Mechanics: The ab Initio Method _t13. Advanced Semiempirical Molecular Orbital Theory: MNDO, AM1, and PM3 _tAppendix A: Listing of Programs and Sources _tIndex
650		0	_aChemistry _xData processing. _9104160
650		0	_aChemistry _xMathematics _992691
900			_a3918 F000034
942			_2lcc _cKT
999			_c3630 _d3630