000 02816cam a22004697i 4500
999 _c8984
_d8984
001 15078145
005 20210920103646.0
008 071113s2008 gw a b 001 0 eng
010 _a 2007941252
015 _aGBA825902
_2bnb
016 7 _a014537730
_2Uk
020 _a9783540773023 (hbk. : alk. paper)
020 _a3540773029 (hbk. : alk. paper)
020 _z9783540773047 (e-ISBN)
035 _a(OCoLC)ocn213114131
040 _aUKM
_cUKM
_dYDXCP
_dBTCTA
_dBAKER
_dOHX
_dBWX
_dOCLCQ
_dVRC
_dTJC
_dTXM
_dMHA
_dDLC
_erda
042 _alccopycat
050 0 0 _aQD455.3.E4
_bR36 2008
082 0 4 _a541.0285
_222
_bR.K.C
100 1 _aRamachandran, K. I.,
_eauthor.
245 1 0 _aComputational chemistry and molecular modeling :
_bprinciples and applications /
_cK.I. Ramachandran, G. Deepa, K. Namboori.
264 1 _aBerlin :
_bSpringer,
_c[2008]
264 4 _cc2008.
300 _axxi, 397 pages :
_billustrations (some color) ;
_c25 cm
336 _atext
_2rdacontent
337 _aunmediated
_2rdamedia
338 _avolume
_2rdacarrier
500 _a"An exclusive URL (http://www.amrita.edu/cen/ccmm/) for this book with the required support materials has been provided for readers ..."--Preface.
500 _apharmacy bookfair2015
504 _aIncludes bibliographical references and index.
505 0 0 _g1.
_tIntroduction --
_g2.
_tSymmetry and Point Groups --
_g3.
_tQuantum Mechanics: A Brief Introduction --
_g4.
_tHuckel Molecular Orbital Theory --
_g5.
_tHartree-Fock Theory --
_g6.
_tBasis Sets --
_g7.
_tSemiempirical Methods --
_g8.
_tAb Initio Method --
_g9.
_tDensity Functional Theory --
_g10.
_tReduced Density Matrix --
_g11.
_tMolecular Mechanics --
_g12.
_tModeling of Molecules Through Computational Methods --
_g13.
_tHigh Performance Computing --
_g14.
_tResearch in Computational Chemistry and Molecular Modeling --
_g15.
_tBasic Mathematics for Computational Chemistry --
_gA.
_tOperators --
_gB.
_tHuckel MO Heteroatom Parameters --
_gC.
_tUsing Microsoft Excel to Balance Chemical Equations --
_gD.
_tSimultaneous Spectrophotometric Analysis --
_gE.
_tBond Enthalpy of Hydrocarbons --
_gF.
_tGraphing Chemical Analysis Data --
_gG.
_tTitration Data Plotting --
_gH.
_tCurve Fitting in Chemistry --
_gI.
_tSolvation of Potassium Fluoride --
_gJ.
_tPartial Molal Volume of ZnCl[subscript 2].
650 0 _aChemistry, Physical and theoretical
_xData processing.
650 0 _aMolecules
_xModels
_xComputer simulation.
_91816
700 1 _aDeepa, G.
_eco-author.
_933324
700 1 _aNamboori, K.,
_eco-author.
856 _3Abstract
_uhttp://repository.fue.edu.eg/xmlui/handle/123456789/2817
906 _a7
_bcbc
_ccopycat
_d2
_eepcn
_f20
_gy-gencatlg
942 _2ddc
_cBK