01311nam a2200205Ia 4500 TDMU_30862 210410s9999 xx 000 0 und d 915.98 R427 Rogers, Donald Computational chemistry using the PC Donald W. Rogers Hoboken Wiley-Interscience 2003 xx, 349 p. Includes bibliographical references (p. 333-338) and index; 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 -- Chapter 10. Ab Initio Molecular Orbital Calculations Chemistry Data processing; Chemistry Mathematics; Computational chemistry; Hóa học Xử lý dữ liệu; Hóa học Toán học; Hóa học tính toán http://lrc.tdmu.edu.vn/opac/search/detail.asp?aID=2&ID=30862 Trung tâm Học liệu Trường Đại học Thủ Dầu Một