| Record ID | marc_columbia/Columbia-extract-20221130-007.mrc:27782630:3078 |
| Source | marc_columbia |
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LEADER: 03078mam a22003134a 4500
001 3022319
005 20221019194709.0
008 010208t20012001nyua b 001 0 eng
010 $a 2001028072
020 $a0824704789 (alk. paper)
035 $a(OCoLC)ocm45917266
035 $9ATH0738CU
035 $a3022319
040 $aDLC$cDLC$dYDX$dOrLoB-B
042 $apcc
050 00 $aQD411$b.C69 2001
082 00 $a547/.05$221
245 00 $aComputational organometallic chemistry /$cedited by Thomas R. Cundari.
260 $aNew York :$bMarcel Dekker,$c[2001], ©2001.
300 $axii, 428 pages :$billustrations ;$c24 cm
336 $atext$btxt$2rdacontent
337 $aunmediated$bn$2rdamedia
504 $aIncludes bibliographical references and index.
505 00 $g1.$tIntroduction /$rThomas R. Cundari --$g2.$tRecipe for an Organometallic Force Field /$rPer-Ola Norrby --$g3.$tComputational Approaches to the Quantification of Steric Effects /$rDavid P. White --$g4.$tThe Accuracy of Quantum Chemical Methods for the Calculation of Transition Metal Compounds /$rMichael Diedenhofen, Thomas Wagener and Gernot Frenking --$g5.$tNondynamic Correlation Effects in Transition Metal Coordination Compounds /$rKristine Pierloot --$g6.$tQuantitative Consideration of Steric Effects Through Hybrid Quantum Mechanics/Molecular Mechanics Methods /$rFeliu Maseras --$g7.$tHIV Integrate Inhibitor Interactions with Active-Site Metal Ions: Fact or Fiction? /$rAbby L. Parrill, Gigi B. Ray and Mohsen Abu-Khudeir /$r[et al.] --$g8.$tCyclometallation of a Computationally Designed Diene: Synthesis of (-)-Androst-4-ene-3,16-dione /$rDouglass F. Taber, James P. Louey and Yanong Wang /$r[et al.] --
505 80 $g9.$tRhodium-Mediated Intramolecular C-H Insertion: Probing the Geometry of the Transition State /$rDouglass F. Taber, Pascual Lahuerta and James P. Louey /$r[et al.] --$g10.$tMolecular Mechanics Modeling of Organometallic Catalysts /$rDavid P. White and Warthen Douglass --$g11.$tTitanium Chemistry /$rMark S. Gordon, Simon P. Webb and Takako Kudo /$r[et al.] --$g12.$tSpin-Forbidden Reactions in Transition Metal Chemistry /$rJeremy Noel Harvey --$g13.$tOxidative Addition of Dihydrogen to M(PH[subscript 3])[subscript 2]Cl, M = Rh and Ir: A Computational Study Using DFT and MO Methods /$rMargaret Czerw, Takeyce K. Whittingham and Karsten Krogh-Jespersen --$g14.$tThe Electronic Structure of Organoactinide Complexes via Relativistic Density Functional Theory: Applications to the Actinocene Complexes An ([eta][superscript 8]-C[subscript 8]H[subscript 8])[subscript 2] (An = Th-Am) /$rJun Li and Bruce E. Bursten --
505 80 $g15.$tPi Bonding in Group 13-Group 15 Analogs of Ethene /$rAshalla McGee, Freida S. Dale and Soon S. Yoon /$r[et al.] --$g16.$tMain Group Half-Sandwich and Full-Sandwich Metallocenes /$rOhyun Kwon and Michael L. McKee.
650 0 $aOrganometallic chemistry.$0http://id.loc.gov/authorities/subjects/sh86004134
700 1 $aCundari, Thomas R.,$d1964-$0http://id.loc.gov/authorities/names/n2001003538
852 00 $boff,sci$hQD411$i.C69 2001