LEADER 02755nam 2200517 450 001 9910154920803321 005 20200520144314.0 035 $a(CKB)3710000000965166 035 $a(MiAaPQ)EBC4751479 035 $a(DLC) 2016052630 035 $a(JP-MeL)3000065195 035 $a(Au-PeEL)EBL4751479 035 $a(CaPaEBR)ebr11307546 035 $a(CaONFJC)MIL974539 035 $a(OCoLC)965772359 035 $a(EXLCZ)993710000000965166 100 $a20161028h20172017 uy| 0 101 0 $aeng 135 $aurcnu|||||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aIntroduction to computational chemistry /$fFrank Jensen 205 $aThird edition. 210 1$aChichester, UK ;$aHoboken, NJ :$cJohn Wiley & Sons,$d[2017] 210 4$dİ2017 215 $a1 online resource (663 pages) $cillustrations 311 $a1-118-82599-3 311 $a1-118-82598-5 320 $aIncludes bibliographical references and index. 327 $aIntroduction -- Force field methods -- Hartree-Fock theory -- Electron correlation methods -- Basis sets -- Density functional methods -- Semi-empirical methods -- Valence bond methods -- Relativistic methods -- Wave function analysis -- Molecular properties -- Illustrating the concepts -- Optimization techniques -- Statistical mechanics and transition state theory -- Simulation techniques -- Qualitative theories -- Mathematical methods -- Statistics and QSAR -- Concluding remarks 330 $a"Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields; Tight-binding DFT; More extensive DFT functionals, excited states and time dependent molecular properties; Accelerated Molecular Dynamics methods; Tensor decomposition methods; Cluster analysis; Reduced scaling and reduced prefactor methods" -- From the publisher. 606 $aChemistry, Physical and theoretical$xData processing 606 $aChemistry, Physical and theoretical$xMathematics 608 $aElectronic books. 615 0$aChemistry, Physical and theoretical$xData processing. 615 0$aChemistry, Physical and theoretical$xMathematics. 676 $a541.0285 700 $aJensen$b Frank$0149518 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910154920803321 996 $aIntroduction to computational chemistry$9512383 997 $aUNINA LEADER 01468nam 2200337 n 450 001 996390855903316 005 20221108084553.0 035 $a(CKB)1000000000662681 035 $a(EEBO)2240939810 035 $a(UnM)99855738 035 $a(EXLCZ)991000000000662681 100 $a19920908d1637 uy | 101 0 $aeng 135 $aurbn||||a|bb| 200 12$aA treatise of the honor of Gods house: or, The true paterne of the Church, shewed in the parts and pietie of it$b[electronic resource] $ewith a discovery of the true cause and cure of our present contentions, and an answer of such objections as may offend the weake 210 $aLondon $cPrinted by T[homas] C[otes] for William Cooke, and are to be sold at his shop neere Furnivalls Inne Gate in Holbourne$d1637 215 $a[28], 28, 33-70, [2] p 300 $aDedication signed: Iohn Yates, i.e. John Yates (d. ca. 1660), but possibly by another John Yates. 300 $aPrinter's name from STC. 300 $aThe first leaf and the last leaf are blank. 300 $aReproduction of the original in the British Library. 330 $aeebo-0018 700 $aYates$b John$fd. ca. 1660.$01004337 801 0$bCu-RivES 801 1$bCu-RivES 801 2$bCStRLIN 801 2$bWaOLN 906 $aBOOK 912 $a996390855903316 996 $aA treatise of the honor of Gods house: or, The true paterne of the Church, shewed in the parts and pietie of it$92391386 997 $aUNISA LEADER 01078nam 2200385 450 001 9910151622703321 005 20230807213040.0 010 $a1-4706-3041-9 035 $a(CKB)3710000000920315 035 $a(MiAaPQ)EBC4725922 035 $a(EXLCZ)993710000000920315 100 $a20161109h20152015 uy 0 101 0 $aeng 135 $aurcnu|||||||| 181 $2rdacontent 182 $2rdamedia 183 $2rdacarrier 200 10$aNOLA $ea tribute to New Orleans : for B clarinet, trombone, and piano /$fMike Springer 210 1$aVan Nuys, California :$cAlfred Music,$d2015. 210 4$dİ2015 215 $a1 online resource (22 pages) $cillustrations 311 $a1-4706-2309-9 606 $aTrombone 606 $aTrios (Piano, clarinet, trombone) 615 0$aTrombone. 615 0$aTrios (Piano, clarinet, trombone) 676 $a788.2 700 $aSpringer$b Mike$01375419 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910151622703321 996 $aNOLA$93413610 997 $aUNINA