LEADER 03968nam 2200577 a 450 001 9910961197403321 005 20251116181926.0 010 $a1-62417-398-5 035 $a(CKB)2550000001043595 035 $a(EBL)3021685 035 $a(MiAaPQ)EBC3021685 035 $a(Au-PeEL)EBL3021685 035 $a(CaPaEBR)ebr10683425 035 $a(OCoLC)923666733 035 $a(BIP)34159592 035 $a(EXLCZ)992550000001043595 100 $a20120207d2012 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 00$aQuantum-chemical calculations of molecular systems as the basis of nanotechnologies in applied quantum chemistry$hVolume 3$iQuantum chemical calculation of monomers of cationic polymerization and other unique molecular systems /$fV.A. Babkin and G.E. Zaikov, editors 205 $a1st ed. 210 $aNew York $cNova Science Publishers$dc2012 215 $a1 online resource (247 p.) 225 1 $aNanotechnology science and technology 225 1 $aChemistry research and applications 300 $aDescription based upon print version of record. 311 08$a1-61324-283-2 320 $aIncludes bibliographical references and index. 327 $apt. I. Quantum-chemical calculation of chemical compounds, synthesized by laureates of Nobel Prize -- pt. II. Quantum-chemical calculation of cellulose -- pt. III. Quantum-chemical calculation of medical products -- pt. IV. Quantum-chemical calculation of jet engine fuels -- pt. V. Quantum-chemical calculation in biochemistry -- pt. VI. Quantum-chemical calculation of linear olefins of cationic polymerization by method ab initio -- pt. VII. Quantum-chemical calculation of linear olefins by method MNDO -- pt. VIII. Quantum-chemical calculation of linear olefins of cationic polymerization, branched out in A-position in relation to double bond by method ab initio -- pt. IX. Quantum-chemical calculation of linear monomers, branched out in A-position in relation to double bond by method MNDO -- pt. X. Quantum-chemical calculation of linear monomers, branched out in G-, D-, E-position in relation to double bond by ab initio -- pt. XI. Quantum-chemical calculation of isoolefins by method ab initio -- pt. XII. Quantum-chemical calculation of isoolefins by method MNDO -- pt. XIII. Quantum-chemical calculation of dienes and trienes by method ab initio -- pt. XIV. Quantum-chemical calculation of dienes and trienes by method MNDO -- pt. XV. Styrene and its derivations -- pt. XVI. Indene and its EGO derivations -- pt. XVII. Bicyclic olefins -- pt. XVIII. Compound with small cycles. 330 $aThis book presents current research in the study of quantum-chemical calculations of various molecular systems. The research results presented suggest that the development of nanotechnologies will offer new and more effect advancements for the improvement of penicillins, vitamins and catalysts. The results of quantum-chemical calculations of various molecular systems presented here are the first step toward the development of new nanotechnologies. 410 0$aNanotechnology science and technology series. 410 0$aChemistry research and applications series. 606 $aNanotechnology 606 $aQuantum chemistry$xData processing 606 $aMolecular structure$xData processing 615 0$aNanotechnology. 615 0$aQuantum chemistry$xData processing. 615 0$aMolecular structure$xData processing. 676 $a620/.5 701 $aBabkin$b V. A$g(Vasilii? Anatol?evich)$01870526 701 $aZaikov$b G. E$g(Gennadii? Efremovich),$f1935-$066350 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910961197403321 996 $aQuantum-chemical calculations of molecular systems as the basis of nanotechnologies in applied quantum chemistry$94479015 997 $aUNINA