000 04365cam a2200529Ia 4500
001 ocn646758794
003 OCoLC
005 20180529115044.0
008 750720s1999 caua ob 001 0 eng d
019 _a505079430
_a808731539
_a906428929
020 _a9780080582573
_q(electronic bk.)
020 _a0080582575
_q(electronic bk.)
020 _a0120348330
_q(electronic bk.)
020 _a9780120348336
_q(electronic bk.)
020 _z9780120348336
035 _a(OCoLC)646758794
040 _aDLC
_beng
_cDLC
_dAU
049 _aAlfaisal Main Library
050 4 _aQD462
_b.A38 1999eb
245 0 0 _aAdvances in quantum chemistry.
_nVolume 32,
_pQuantum Systems in Chemistry and Physics.
_nPart II /
_cedited by S. Wilson [and others].
260 _aSan Diego :
_bAcademic Press,
_c1999.
300 _a1 online resource :
_billustrations.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
490 1 _aAdvances in quantum chemistry ;
_vv. 32
504 _aIncludes bibliographical references and index.
588 0 _aPrint version record.
505 0 _aFront Cover; Advances in Quantum Chemistry, Volume 32; Copyright Page; Contents Volume 32; Contributors Volume 32; Contents Volume 31; Contributors Volume 31; Preface; Workshop Participants; Chapter 1. Ab Initio Relativistic Quantum Chemistry: Four Components Good, Two Components Bad!; Chapter 2. Modern VB Representations of CASSCF Wave Functions and the Fully Variational Optimization of Modern VB Wave Functions Using the CASVB Strategy; Chapter 3. On the Electronic Structure of ScB+: Ground and Low-Lying Excited States.
505 8 _aChapter 4. On the Effects of Basis Set Truncation and Electron Correlation in the Conformers of 2-Hydroxy-acetamideChapter 5. Gas-Phase Conformational Analysis of (R, R)-Tartaric Acid, Its Diamide, N, N, N', N', -Tetramethyldiamide, and Model Compounds; Chapter 6. Recent Theoretical Developments in Conical-Intersection Effects in Triatomic Spectra; Chapter 7. Ab Initio Determination of Band Structures of Vibrational Spectra of Nonrigid Molecules: Applications to Methylamine and Dimethylamine; Chapter 8. Gauge Invariance and Multipole Moments.
505 8 _aChapter 9. Vertical Electron Transitions in Rydberg RadicalsChapter 10. Time-Dependent Quantum Treatment of Two-Color Multiphoton Ionization Using a Strong Laser Pulse and High-Order Harmonic Radiation; Chapter 11. Methods Involving Complex Coordinates Applied to Atoms; Chapter 12. Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model; Chapter 13. New ab Initio VB Interaction Potential for Molecular Dynamics Simulation of Liquid Water.
505 8 _aChapter 14. Systematic Sequences of Even-Tempered Gaussian Primitives for Diatomic Molecules in Solution: A Preliminary Study Using Continuum Solvation ModelsChapter 15. Beyond the Transition State Treatment; Index.
520 _aThe description of quantum systems is fundamental to an understanding of many problems in chemistry and physics. This volume records a representative slection of the papers delivered at the second European Workshop on Quantum Systems in Chemistry and Physics which was held at Jesus College, Oxford, April 6-9, 1997. The purpose of this international Workshop was to bring together chemists and physicists with a common interest--the quantum mechanical many-body problem--and to encourage collaboration and exchange of ideas on the fundamentals by promoting innovative theory and conceptual de.
590 _aElsevier
_bScienceDirect All Books
650 0 _aQuantum chemistry.
650 0 _aQuantum theory.
650 7 _aSCIENCE
_xChemistry
_xPhysical & Theoretical.
_2bisacsh
650 7 _aQuantum chemistry.
_2fast
_0(OCoLC)fst01085086
650 7 _aQuantum theory.
_2fast
_0(OCoLC)fst01085128
655 7 _aElectronic books.
_2local
700 1 _aWilson, S.
_q(Stephen),
_d1950-
710 2 _aScienceDirect eBooks.
776 0 8 _iPrint version:
_tAdvances in quantum chemistry. Volume 32, Quantum Systems in Chemistry and Physics.
_dSan Diego : Academic Press, 1999
_z9780120348336
_w(DLC) 64008029
830 0 _aAdvances in quantum chemistry ;
_vv. 32.
856 4 0 _uhttp://ezproxy.alfaisal.edu/login?url=https://www.sciencedirect.com/science/bookseries/00653276/32
942 _2lcc
_cEBOOKS
264 _c1999.
999 _c532690
_d532690