000 03091cam a2200445Mi 4500
001 9781003133605
003 FlBoTFG
005 20230622164102.0
006 m o d
007 cr |n|||||||||
008 210114s2021 flu sb 001 0 eng d
020 _a9781000344691
_q(electronic bk.)
020 _a100034469X
_q(electronic bk.)
020 _a9781000344752
_q(electronic bk.)
020 _a1000344754
_q(electronic bk.)
020 _a9781003133605
_q(electronic bk.)
020 _a1003133606
_q(electronic bk.)
020 _z9780367679699
020 _z0367679698
035 _a(OCoLC)1231522500
035 _a(OCoLC-P)1231522500
040 _aOCoLC-P
_beng
_cOCoLC-P
_dNUSCL
082 _a541.28
_bPRA
090 _aQD462.6.D38
_bP73 2021
100 1 _aPrasad, Ram Yatan,
_eauthor.
245 1 0 _aComputational quantum chemistry
_h[electronic resource] /
_cauthored by Prof (Dr.) Ram Yatan Prasad and Dr. Pranita.
250 _aSecond edition.
260 _aFL :
_bCRC Press,
_cc2021.
300 _a1 online resource.
505 _a1. Quantum Theory 2. Wave–Particle Duality 3. Mathematical Techniques 4. Quantum Mechanical Operators 5. Postulates of Quantum Mechanics 6. The Schrödinger Equation 7. Playing with the Schrödinger Equation 8. Hydrogen Atom 9. Approximate Methods 10. Diatomic Molecules 11. Multielectronic Systems 12. Polyatomic Molecules 13. Hückel Molecular Orbital Theory/Method 14. Density Functional Theory
506 _aOnline version restricted to NUS staff and students only through NUSNET.
520 _a"Computational Quantum Chemistry is an extremely useful tool for teaching and research alike. It stipulates information in an accessible manner for scientific investigators, researchers and entrepreneurs. The book supplies an overview of the field and explains the fundamental underlying principles. It also gives the knowledge of numerous comparisons of different methods. The book consists of a wider range of applications in each chapter. It also provides a number of references which will be useful for academic and industrial researchers. It includes a large number of worked out examples and unsolved problems for enhancing the computational skill of the users. Features: Includes comprehensive coverage of most essential basic concepts. Achieves greater clarity with improved planning of topics and is Readers friendly. Deals with the mathematical techniques which will help the readers more efficient in solving problems. Explains a structured approach for mathematical derivations. A reference book for academicians and Scientific investigators"--
538 _aMode of access: World Wide Web.
538 _aSystem requirements: Internet connectivity; World Wide Web browser.
650 0 _aQuantum chemistry
_xData processing.
650 0 _aQuantum chemistry
_xMathematics
_xData processing.
700 1 _aPranita,
_eauthor.
942 _2ddc
_cBOOKS
956 4 0 _3Taylor & Francis
_uhttps://libproxy1.nus.edu.sg/login?url=https://www.taylorfrancis.com/books/9781003133605
999 _c39083
_d39083