| Record ID | marc_columbia/Columbia-extract-20221130-015.mrc:69275187:1887 |
| Source | marc_columbia |
| Download Link | /show-records/marc_columbia/Columbia-extract-20221130-015.mrc:69275187:1887?format=raw |
LEADER: 01887cam a22003494a 4500
001 7192628
005 20221130214007.0
008 080902t20092009njua b 001 0 eng
010 $a 2008038603
020 $a9780470373170 (cloth)
020 $a0470373172 (cloth)
024 $a99933755186
035 $a(OCoLC)ocn245025462
035 $a(OCoLC)245025462
035 $a(NNC)7192628
035 $a7192628
040 $aDLC$cDLC$dBTCTA$dYDXCP$dOSU$dCDX$dC#P$dOrLoB-B
050 00 $aQC20.7.D43$bS55 2009
082 00 $a530.14/4$222
100 1 $aSholl, David S.$0http://id.loc.gov/authorities/names/n2008059951
245 10 $aDensity functional theory :$ba practical introduction /$cDavid S. Sholl, Janice A. Steckel.
260 $aHoboken, N.J. :$bWiley,$c[2009], ©2009.
300 $axii, 238 pages :$billustrations ;$c25 cm
336 $atext$btxt$2rdacontent
337 $aunmediated$bn$2rdamedia
504 $aIncludes bibliographical references and index.
505 00 $g1.$tWhat Is Density Functional Theory? -- $g2.$tDFT Calculations for Simple Solids -- $g3.$tNuts and Bolts of DFT Calculations -- $g4.$tDFT Calculations for Surfaces of Solids -- $g5.$tDFT Calculations of Vibrational Frequencies -- $g6.$tCalculating Rates of Chemical Processes Using Transition State Theory -- $g7.$tEquilibrium Phase Diagrams from Ab Initio Thermodynamics -- $g8.$tElectronic Structure and Magnetic Properties -- $g9.$tAb Initio Molecular Dynamics -- $g10.$tAccuracy and Methods beyond "Standard" Calculations.
650 0 $aDensity functionals.$0http://id.loc.gov/authorities/subjects/sh85036851
650 0 $aMathematical physics.$0http://id.loc.gov/authorities/subjects/sh85082129
650 0 $aQuantum chemistry.$0http://id.loc.gov/authorities/subjects/sh85109456
700 1 $aSteckel, Janice A.$0http://id.loc.gov/authorities/names/n2008059952
852 00 $bmat$hQC20.7.D43$iS55 2009