ΠΠ²Π°Π½ΡΠΎΠ²ΠΎ-Ρ ΠΈΠΌΠΈΡΠ΅ΡΠΊΠΎΠ΅ ΠΈΡΡΠ»Π΅Π΄ΠΎΠ²Π°Π½ΠΈΠ΅ ΠΎΡΠΎΠ±Π΅Π½Π½ΠΎΡΡΠ΅ΠΉ ΠΊΠΎΠΌΠΏΠ»Π΅ΠΊΡΠΎΠΎΠ±ΡΠ°Π·ΠΎΠ²Π°Π½ΠΈΡ Π°Π»ΡΠΌΠΈΠ½ΠΈΠΉΠΎΡΠ³Π°Π½ΠΈΡΠ΅ΡΠΊΠΈΡ ΡΠΎΠ΅Π΄ΠΈΠ½Π΅Π½ΠΈΠΉ Ρ Π³Π°Π»ΠΎΠ³Π΅Π½ΡΠΎΠ΄Π΅ΡΠΆΠ°ΡΠΈΠΌΠΈ ΠΎΡΠ½ΠΎΠ²Π°Π½ΠΈΡΠΌΠΈ ΠΡΡΠΈΡΠ°
ΠΠ΅ΠΎΠΌΠ΅ΡΡΠΈΡΠ΅ΡΠΊΠΎΠ΅ ΠΈ ΡΠ»Π΅ΠΊΡΡΠΎΠ½Π½ΠΎΠ΅ ΡΡΡΠΎΠ΅Π½ΠΈΠ΅ ΠΊΠΎΠΌΠΏΠ»Π΅ΠΊΡΠΎΠ² ΡΡΠ½ΠΌΠ΅ΡΠΈΠ»Π°Π»ΡΠΌΠΈΠ½ΠΈΡ ΠΈ ΡΡΠΈΡΡΠΈΠ»Π°Π»ΡΠΌΠΈΠ½ΠΈΡ Ρ Π΄ΠΈΡ Π»ΠΎΡΠΌΠ΅ΡΠ°Π½ΠΎΠΌ ΠΈ Π΄ΠΈΡ Π»ΠΎΡΡΡΠ°Π½ΠΎΠΌ, Π»ΠΈΡΠΈΠΉΠ°Π»ΡΠΌΠΈΠ½ΠΈΠΉΡΠ΅ΡΡΠ°ΠΌΠ΅ΡΠΈΠ»Π° Ρ Π΄ΠΈΡ Π»ΠΎΡΠΌΠ΅ΡΠ°Π½ΠΎΠΌ ΠΈ Π΄ΠΈΡ Π»ΠΎΡΡΡΠ°Π½ΠΎΠΌ ΠΈ Π»ΠΉΡΠΈΠΉΠ°Π»ΡΠΌΠΈΠ½ΠΈΠΉΡΠ΅ΡΡΠ°ΡΡΠΈΠ»Π° Ρ Π΄ΠΈΡ Π»ΠΎΡΠΌΠ΅ΡΠ°Π½ΠΎΠΌ, ΡΡΠΈΠΌΠ΅ΡΠΈΠ»Π°Π»ΡΠΌΠΈΠ½ΠΈΡ ΠΈ ΡΡΠΈΡΡΠΈΠ»Π°Π»ΡΠΌΠΈΠ½ΠΈΡ Ρ ΡΡΠΎΡΠΈ Ρ Π»ΠΎΡ-Π°Π½ΠΈΠΎΠ½Π°ΠΌΠΈ Π² Π³Π°Π·ΠΎΠ²ΠΎΠΉ ΡΠ°Π·Π΅- 2) ΡΠ΅ΡΠΌΠΎΠ΄ΠΈΠ½Π°ΠΌΠΈΡΠ΅ΡΠΊΠΈΠ΅ ΠΏΠ°ΡΠ°ΠΌΠ΅ΡΡΡ ΡΠ΅Π°ΠΊΡΠΈΠΉ ΠΊΠΎΠΌΠΏΠ»Π΅ΠΊΡΠΎΠΎΠ±ΡΠ°Π·ΠΎΠ²Π°Π½ΠΈΡ ΡΡΠΈΠΌΠ΅ΡΠΈΠ»Π°Π»ΡΠΌΠΈΠ½ΠΈΡ: ΠΈ ΡΡΠΈΡΡΠΈΠ»Π°Π»ΡΠΌΠΈΠ½ΠΈΡ Ρ Π΄ΠΈΡ Π»ΠΎΡΠΌΠ΅ΡΠ°Π½ΠΎΠΌ… Π§ΠΈΡΠ°ΡΡ Π΅ΡΡ >
Π‘ΠΏΠΈΡΠΎΠΊ Π»ΠΈΡΠ΅ΡΠ°ΡΡΡΡ
- Wilkinson G. (Eds.) Comprehensive organometallic chemistry. / F.G.A. Stone, E.W. Abel — New York, Pergamon. — 1982.
- Mole T. Organoaluminium compounds. / E.A. Jeffery New York, Elsevier. -1972.
- Haiduc I. Basic organometallic chemistry. / J J. Zuckerman Berlin, Walter de Gruyter. -1985.
- McKillop A. (Eds.) Organometallic compounds of aluminum, gallium, indium and thallium. / J.D. Smith, I.J. Worrall London, Chapman and Hall. — 1985. 309 p.
- Robinson G.H. (Ed.) Coordination chemistry of aluminum. New York, VCH. -1993.234 Ρ.
- Witt M. Organoaluminum chemistry at the forefront of research and development. / H.W. Roesky // Current Science. 2000. — V. 78, № 4. — P 410 430.
- Peters F.M. Alkylaluminum hydride trimethylamine complexes. / B. Bartocha, A.J. Bilbo // Can. J. Chem. 1963. -V. 41, № 5. — P. 1051−1058.
- Anderson G.A. On the molecular structure of the complex trimethylaluminium-trimethylamine, (CH3)3A1N (CH3)3. / F.R. Forgaard, A. Haaland // Acta Chem. Scand. 1972. — V. 26, № 5. — P. 1947−1954.
- Gosling K. Thermal decomposition of primaiy and secondary amine adducts of triethylaluminium and diethylaluminium halides. / R.E. Bowen // J. Chem. Soc., Dalton Trans.-1974.-№ 18.-P. 1961−1966.
- Rennekamp C. Reaction of dimethylaluminumfluoride with primary amines RNH2 (R = t-Bu, 2,6-i-Pr2C6H3). / A. Stasch, P. Mtiller, H.W. Roesky, M. Noltemeyer, H.-G. Schmidt, I. Uson I I J. Fluorine Chem. 2000. — V. 102, № 1−2.-P. 17−20.
- Haaland A. The molecular structure of the complex trimethylaluminium dimethyl ether, (CH3)3A10(CH3)2, determined by gas phase electron diffraction. / S. Samdal, O. Stokkeland, J. Weidlein // J. Organomet. Chem. 1977. — V. 134, № 2.-P. 165−171.
- Baker E.B. The system aluminum triethyl-ethyl ether. / H.H. Sisler // J. Am. Chem. Soc. 1953. — V. 75, № 19. — P. 4828−4829.
- Rahman A.F.M.M. X-ray crystal structure of tribenzylaluminum β’ diethyl etherate. / K.F. Siddiqui, J.P. Oliver // J. Organomet. Chem. 1987. — V. 319, № 2.-P. 161−166.
- Takeda S. The infrared spectra of alkylaluminum-ether complexes. / R. Tarao // Bull. Chem. Soc. Jpn. 1965. -V. 38, № 10. — P. 1567−1575.
- Cohen B.M. Complexes of organoaluminium compounds. V. Some phosphorus derivatives of triethylaluminium. / A.R. Cullingworth, J.D. Smith // J. Chem. Soc. A — 1969. -№ 14.-P. 2193−2196.
- Smith C.A. Preparation and properties of some co-ordination compounds formed between aluminium alkyls and their derivatives and ligands from groups V and VI. / M.G.H. Wallbridge // J. Chem. Soc. A 1970. — P. 2675−2678.
- Almenningen A. The molecular structure of the complex trimethylaluminium trimethylphosphane, (Π‘Π3)3Π1Π (Π‘ΠΠ·)Π·, determined by gas phase electron diffraction. / L. Fernholt, A. Haaland, J. Weidlein // J. Organomet. Chem. -1978, V. 145, β l.-p. 109−119.
- Barron A.R. Adducts of trimethylaluminium with phosphine ligands- electronic and steric effects. // J. Chem. Soc., Dalton Trans. 1988. — № 12. — P. 30 473 050.
- Wierda D.A. Adducts of trimethylaluminium with phosphine ligands: X-ray crystal structures of Me3AlPPh3 and Me3AlP (o-tolyl)3. / A.R. Barron // Polyhedron.-1989.-V. 8, № 6.-P. 831−834.
- Henrickson C.H. Lewis acidity of alanes. Interactions of trimethylalane with sulfides. / D.P. Eyman // Inorg. Chem. 1967. — V. 6, № 8. — P. 1461−1465.
- Lloyd J.E. Reactions of organoaluminium compounds with cyanides. I. Phenyl Cyanide. / K. Wade // J. Chem. Soc. 1965. — № 4. — P. 2662−2668.
- Kuran W. Reactions of methylaluminium compounds with acrylonitrile. / S. Pasynkiewicz // J. Organomet. Chem. 1970. — V. 23, № 2. — P. 343−356.
- Kuran W. Reactions of methylaluminium compounds with methacrylonitrile. / S. Pasynkiewicz, J. Muszynski // J. Organomet. Chem. 1970. — V. 25, № 1. -P. 23−27.
- ΠΠ°Π³ΠΈΠΎΠΊΠ° Π. Organoborane-catalyzed hydroalumination of olefins. / H. Sano, K. Shinoda, S. Nakai, H. Yamamoto // J. Am. Chem. Soc. 1986. — V. 108, № 19. -P. 6036−6038.
- Kiyooka S. 1,3-syn diastereoselective reduction of p-hydroxyketones with diisobutylaluminum hydride and tributyltin hydride. / H. Kuroda, Y. Shimasaki // Tetrahedron Lett. 1986. — V. 27, № 26. — P. 3009−3012.
- Sakane S., Maruoka K., Yamamoto H. // J. Chem. Soc. Jpn. 1985. — P. 324.
- Fujiwara J. Unprecedented regio- and stereochemical control in the addition of organoaluminum reagents to chiral a, P-unsaturated acetals. / Y. Fukutani, M. Hasegawa, K. Maruoka, H. Yamamoto // J. Am. Chem. Soc. 1984. — V. 106, № 17.-P. 5004−5005.
- Maruoka K. A conceptually different approach to the asymmetric synthesis of a-substituted carbonyl compounds. / S. Nakai, M. Sakurai, H. Yamamoto // Synthesis.-1986.-P. 130−132.
- Fukutani Y. Stereoselective conjugate addition of organoaluminum reagents to chiral a, P-unsaturated ketals. / K. Maruoka, H. Yamamoto // Tetrahedron Lett. 1984. — V. 25, № 51.-P. 5911−5912.
- Whitt C.D. The crystal structure of trimethyl (quinuclidine)aluminum. / L.M. Parker, J.L. Atwood // J. Organomet. Chem. 1971. — V. 32, № 3. — P. 291 297.
- Sen B. Monomeric and dimeric complexes of group IIIA metal alkyls with piperidine. Effect of coordination on the carbon-metal bond. / G.L. White // Journal of Inorganic & Nuclear Chemistry. 1973. — V. 35, № 7. — P. 22 072 215.
- Leszczynska K. Cyclopentadienylaluminum donor-acceptor complexestmolecular and supramolecular structure. /1. Madura, A.R. Kunicki, J. Zachara // J. Organomet. Chem. 2006. — V. 691, № 26. — P. 5970−5979.
- Wade K. Reactions of organoaluminium compounds with cyanides. Π¨. Reactions of trimethylaluminium, triethylaluminium, dimethylaluminium hydride, and diethylaluminium hydride with dimethylcyanamide. / B.K. Wyatt // J. Chem. Soc. A 1969.-№ 7.-P. 1121−1124.
- Atwood J.L. The synthesis and structure of potassium cyanotrimethylaluminate. / R.E. Cannon // J. Organomet. Chem. 1973. — V. 47, № 2. — P. 321−329.
- Bradford A.M. Interactions of l, 4-diazabicyclo2.2.21octane with group III metal trimethyls: structures of Me3M β’ N (C2H4)3N β’ MMe3 (M = Al, Ga). / D.C. Bradley, M.B. Hursthouse, M. Motevalli // Organometallics. 1992. — V. 11, β l.-P. 111−115.
- Tossell J.A. Calculation of the change in ^ NMR spectrum of Al (CH3)3 (TMA) produced by complexation with GiHgO (THF). // Organometallics.2002. V. 21, № 21. — P. 4523−4527.
- Kuran W. Reactions of methylaluminium compounds with propylene oxide. / S. Pasynkiewicz, J. Serzyko // J. Organomet. Chem. 1974. — V. 73, № 2. — P. 187−192.
- Pasynkiewicz S. Complexes of organoaluminium compounds with hexamethylphosphoric triamide. / Z. Buczkowski // J. Organomet. Chem. -1970. V. 22, № 3. — P. 525−535.
- Feher F.J. Oxide-base adducts of aluminum: X-ray crystal structures of Me3Al (OPPh3), Me3Al (ONMe3) and (CH3)3SiO.3Al (OPPh3). / T.A. Budzichowski, K.J. Weller // Polyhedron. 1993. — V. 12, № 6. — P. 591−599.
- Yasuda H. Structure and chemical behavior of an organoaluminum compound R2A10CR'NPh.2, a stereospecific catalyst for polymerization of acetaldehyde. / T. Araki, H. Tani // J. Organomet. Chem. 1973. — V. 49, № 1. — p. 103−116.
- Kai Y. X-Ray determination of the molecular structure of an organoaluminium compound Me2A10C (Ph)NPh, ONMe3. /N. Yasuoka, N. Kasai, M. Kakudo, H. Yasuda, H. Tani // J. Chem. Soc. D: Chem. Commun. 1971. — № 16. — P. 940 941.
- Cohen B.M. Complexes of organoaluminium compounds. IV. Adducts between phosphorus esters and ethylaluminium dichloride. / J.D. Smith // J. Chem. Soc. A 1969. — № 14. — P. 2087−2089.
- Bache 0. Stoichiometry and structure of Π1(Π‘2Π5)3."Π‘Π£Π‘6Π5Π‘ΠΠΠ‘2Π5 complexes (n = 0−2). / M. Ystenes // J. Mol. Struct. 1997. — V. 408−409. — P. 291−299.
- McMahon C.N. Alcohol and secondary amine complexes of tri-tert-butylaluminium: enhanced stability through intramolecular hydrogen bonding. / S.G. Bott, A.R. Barron // J. Chem. Soc., Dalton Trans. 1997. — β> 18. — P. 3129−3137.
- Florjanczyk Z. Reactions of ethylaluminium compounds with /Π·-chloranil. / W. Kuran, S. Pasynkiewicz, A. Krasnicka // J. Organomet. Chem. 1978. — V. 145, № 1.-p. 21−28.
- Atwood J.L. The crystal and molecular structure of A1(CH3)3.2 Β¦ C4H802. / G.D. Stucky//J. Am. Chem. Soc. 1967. -V. 89, № 21. — P. 5362−5366.
- Schulz S. First structural characterization of completely alkyl-substituted Al-Sb Lewis acid-base adducts. / A. Kuczkowski, M. Nieger // J. Organomet. Chem. -2000. V. 604, № 2. — P. 202−207.
- Nykerk K.M. Trimethylalane adducts of phosphine oxides. / D.P. Eyman // Inorg. Nucl. Chem. Lett. 1968. — V. 4, № 5. — P. 253−256.
- Henrickson C.H. Donor abilities of sulfoxides, sulfinamides, and thionylamides. / K.M. Nykerk, D.P. Eyman // Inorg. Chem. 1968. — V. 7, № 5.-P. 1028−1029.
- Henrickson C.H. Lewis acidity of alanes. Interactions of trimethylalane with amines, ethers, and phosphines. / D. Duffy, D.P. Eyman // Inorg. Chem. 1968. -V. 7, № 6.-P. 1047−1051.
- Starowieyski K. Complexes of organoaluminium compounds with nitriles structure and heat of complex formation. / S. Pasynkiewicz, M. Boleslawski // J. Organomet. Chem. 1967. — V. 10, № 3. — P. 393−400.
- Bonitz E. Zur Kenntnis aluminium-organischer Verbindungen. // Chem. Ber. -1955. V. 88, № 6. — P. 742−763.
- Hoeg D.F. Base strengths of alkylpyridines using triethylaluminum as the reference acid. A study in F strain. / S. Liebman, L. Schubert // J. Org. Chem. 1963.-V. 28, № 6.-P. 1554−1557.
- Jensen W.B. The Lewis acid-base concept. New York, Wiley. — 1980.
- Jensen W.B. The Lewis acid-base definitions: a status report. // Chem. Rev. -1978.-V. 78, β l.-P. 1−22.
- Snider B.B. A new method for cyclopentanone annulations. / C.P. Cartaya-Marin// J. Org. Chem.- 1984.-V. 49, β l.-P. 153−157.
- StarowieyskiK.B. Phenoxyaluminium compounds IV. Syntheses and structures of monomeric (2,6-di-/-butyl-4-methylphenoxy)aluminium compounds. / S. Pasynkiewicz, M. Skowronska-Ptasinska // J. Organomet. Chem. 1975. — V. 90, № 3.-P. C43-C44.
- Maruoka K. Methylaluminum bis (2,6-di-/er/-butyl-4-alkylphenoxide). A new reagent for obtaining unusual equatorial and anti-Cram selectivity in carbonyl alkylation. / T. Itoh, H. Yamamoto // J. Am. Chem. Soc. 1985. — V. 107, № 15.-P. 4573−4576.
- Maruoka K. A new, stereocontrolled synthesis of equatorial alcohols by the ambiphilic reduction of cyclohexanones. / M. Sakurai, H. Yamamoto // Tetrahedron Lett. 1985. -V. 26, № 32. — P. 3853−3856.
- Dostal L. Reactivity of intramolecularly coordinated aluminum compounds to R3EOH (E = Sn, Si). Remarkable migration ofN, C, N and 0, C, 0 pincer ligands. / R. Jambor, A. Ruzicka, R. Jirasko, I. Cisarova, J. Holecek // J. Organomet.
- Chem. -2006. V. 691.-P. 35−44.
- Starowieyski K.B. Phenoxyaluminium compounds. VI. Complex and reaction mechanism of methylaluminium compounds with anisole. / Z. Rzepkowska // J. Organomet. Chem. 1987. -V. 322, № 3. — P. 309−319.
- Yeh S.-M. Chelation-assisted C-0 bond cleavage of ortho esters. A convenient synthesis of wyo-inositol derivatives having free hydroxy group (s) at specific position (s). / H. Lee, Y. Wang, T.-Y. Luh // J. Org. Chem. 1997. — V. 62, № 24.-P. 8315−8318.
- Alexakis A. Chiral acetals in asymmetric synthesis. / P. Mangeney // Tetrahedron Asymmetry. 1990. — V. 1, № 8. — P. 477−511.
- Giezynski R. Reaction of diacetyl dianil with methyl- and ethyl-aluminum compounds. / S. Pasynkiewics, A. Serwatowska // J. Organomet. Chem. 1974. -V. 69, № 3.-P. 345−352.
- Sauls F.C. Coordination compounds of aluminum as precursors to aluminum nitride. / L.V. Interrante // Coord. Chem. Rev. 1993. — V. 128, № 1−2. — P. 193−207.
- Jones C. Lewis base adducts of alane and gallane. / G.A. Koutsantonis, C.L. Raston//Polyhedron.-1993.-V. 12, № 15.-P. 1829−1848.
- Bradley D.C. Volatile metallo-organic precursors for depositing inorganic electronic materials. // Polyhedron. 1994. — V. 13, № 8. — P. 1111−1121.
- Jones A.C. Metalorganic precursors for vapour phase epitaxy. // J. Cryst. Growth. 1993. — V. 129. — P. 728−773.
- Bertolet D.C. Initial stages of A1N thin-film growth on alumina using trimethylamine alane and ammonia precursors. / H. Liu, J.W. Rogers Jr. // J. Appl. Phys. 1994. — V. 75, № 10. — P. 5385−5390.
- Wells R.L. Aluminum-phosphorus chemistry: preparation and structural characterization of Et2AlP (SiMe3)2.2, EtCl2Al β’ P (SiMe3)3, and ΡΡ-ΠΠΈ2Π‘1Π1 β’ P (SiMe3)3. / A.T. McPhail, M.F. Self, J.A. Laske // Organometallics. 1993. -V. 12, № 8.-P. 3333−3339.
- Jones A.C. CVD of compound semiconductors: precursor synthesis, development and applications. / O’Brien P. Germany, Weinheim: VCH, 1997.
- R.G. Vranka, E.L. Amma // J. Am. Chem. Soc. 1967. — V. 89, № 13. — P. 3121−3126.
- Gilchrist T.L., Storr R.C. Organic reactions and orbital symmetry, 2nd ed. -Cambridge, Cambridge. 1979.
- Woodward R.B. The conservation of orbital symmetiy. / Hoffmann R. -Weinheim, Verlag Chemie. 1971.
- Granovsky A.A. http://classic.chem.msu.su/gran/gamess/index.htm
- Nemukhin A.V. Molecular modeling by using the PC GAMESS program: from diatomic molecules to enzymes. / B.L. Grigorenko, A.A. Granovsky // Moscow University Chem. Bull. 2004. — V. 45, № 2. — P. 75−102.
- Schmidt M.W., Baldridge K.K., Boatz J.A., Elbert S.T., Gordon M.S., Jensen J.J., Koseki S., Matsunaga N., Nguyen K.A., Su S., Windus T.L., Dupuis M., Montgomery J.A. //J. Comput. Chem. 1993. -№ 14. — P. 1347−1363.
- Binkley J.S. Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements. / J.A. Pople, W.J. Hehre // J. Am. Chem. Soc. 1980. — V. 102, № 3. — P. 939−947.
- Gordon M.S. Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elements. / J.S. Binkley, J.A. Pople, W.J. Pietro, W.J. Hehre // J. Am. Chem. Soc. 1982. — V. 104, № 10. — P. 27 972 803.
- Ditchfield R. Self-consistent molecular-orbital methods. IX. An extended Gaussian-type basis for molecular-orbital studies of organic molecules. / W.J. Hehre, J.A. Pople // J. Chem. Phys. 1971. — V. 54, № 2. — P. 724−728.
- Hehre W.J. Self-consistent molecular orbital methods. XII. Further extensions of Gaussian-type basis sets for use in molecular orbital studies of organic molecules. / R. Ditchfield, J.A. Pople // J. Chem. Phys. 1972. — V. 56, № 5.-P. 2257−2261.
- Hariharan P.C. Accuracy of AH, equilibrium geometries by singledeterminant molecular orbital theory. / J.A. Pople // Mol. Phys. 1974. — № 27. -P. 209.
- Krishnan R. Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions. / J.S. Binkley, R. Seeger, J.A. Pople // J. Chem. Phys. 1980.-V. 72, β l.-P. 650−654.
- Hehre W.J. Ab initio molecular orbital theory. / L. Radom, J.A. Pople, P.v.R. Schleyer New York, John Wiley & Sons. — 1986.
- Jensen F. Introduction to computational chemistry. Chichester, John Wiley & Sons. 1999.
- Hehre W.J. Self-consistent molecular-orbital methods. I. Use of Gaussian expansions of Slater-type atomic orbitals. / R.F. Stewart, J.A. Pople // J. Chem. Phys. 1969. — V. 51, № 6. — P. 2657−2664.
- Pietro W.J. Self-consistent molecular orbital methods. 24. Supplemented small split-valence basis sets for second-row elements. / M.M. Francl, W.J. Hehre, D.J. DeFrees, J.A. Pople, J.S. Binkley // J. Am. Chem. Soc. 1982. — V. 104, № 19.-P. 5039−5048.
- Dobbs K.D., Hehre W.J. // J. Comput. Chem. 1986. — № 7. — P. 359−378.
- Hariharan P.C. The influence of polarization functions on molecular orbital hydrogenation energies. / J.A. Pople // Theor. Chim. Acta 1973. — V. 28, № 3. -P. 213−222.
- Francl M.M. Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements. / W.J. Pietro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J. DeFrees, J.A. Pople // J. Chem. Phys. 1982. -V. 77, № 7.-P. 3654−3665.
- Clark Π’., Chandrasekhar J., Spitznagel G.W., Schleyer P.v.R. // J. Comput. Chem. 1983. -V. 4, № 3. -P. 294−301.
- Roothaan C.C.J. New developments in molecular orbital theory. // Rev. Mod. Phys. 1951. — V. 23, № 2. — P. 69−89.
- Moller C. Note on an approximation treatment for many-electron systems. / M.S. Plesset // Phys. Rev. 1934. — V. 46, № 7. — P. 618−622.
- Saebo S. Avoiding the integral storage bottleneck in LCAO calculations of electron correlation. / J. Almlof// Chem. Phys. Lett. 1989. — V. 154, № 1. -P. 83−89.
- Pople J.A. Theoretical models incorporating electron correlation. / J.S. Binkley, R. Seeger//Int. J. Quant. Chem. 1976. -V. 10. — P. 1−19.
- Koch W. A chemist’s guide to density functional theory. / M.C. Holthausen Weinheim, Wiley-VCH Verlag GmbH. — 2001. 300 p.
- Parr R.G. Density functional theory of atoms and molecules. / W. Yang -Oxford, Oxford Univ. Press. 1989.
- Becke A.D. Density-functional exchange-energy approximation with correct asymptotic behavior. // Phys. Rev. A 1988. — V. 38, № 6. — P. 3098−3100.
- Becke A.D. Density-functional thermochemistry. III. The role of exact exchange. //J. Chem. Phys. 1993. -V. 98, № 7. — P. 5648−5652.
- Lee C. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. / W. Yang, R.G. Parr // Phys. Rev. Π 1988. -V. 37, № 2.-P. 785−789.
- Miehlich B. Results obtained with the correlation energy density functionals of Becke and Lee, Yang and Parr. / A. Savin, H. Stoll, H. Preuss // Chem. Phys. Lett. 1989. — V. 157, № 3. — P. 200−206.
- Boys S.F. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors. / F. Bernardi // Mol. Phys. 1970.-№ 19.-P. 553−566.
- Mulliken R.S. Electronic population analysis on LCAO—MO molecular wave functions. I. //J. Chem. Phys. 1955. -V. 23, № 10. — P. 1833−1840.
- Mulliken R.S. Electronic population analysis on LCAO—MO molecular wave functions. II. Overlap populations, bond orders, and covalent bondenergies. /Π. Chem. Phys. 1955. -V. 23, № 10. — P. 1841−1846.
- Mulliken R.S. Electronic population analysis on LCAO-—MO molecular wave functions. III. Effects of hybridization on overlap and gross AO populations. // J. Chem. Phys. 1955. — V. 23, № 12. — P. 2338−2342.
- Mulliken R.S. Electronic population analysis on LCAO —MO molecular wave functions. IV. Bonding and antibonding in LCAO and valence-bond theories. // J. Chem. Phys. 1955. — V. 23, № 12. — P. 2343−2346.
- NBO Version 3.1, Glendening E.D., Reed A.E., Carpenter J.E., Weinhold F.
- Foster J.P. Natural hybrid orbitals. / F. Weinhold // J. Am. Chem. Soc. -1980.-V. 114, № 5.-P. 7211−7218.
- Reed A.E. Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint. / L.A. Curtiss, F. Weinhold // Chem. Rev. 1988. — V. 88, № 6.-P. 899−926.
- Reed A.E. Natural population analysis. / R.B. Weinstock, F. Weinhold // J. Chem. Phys. 1985. — V. 83, № 2. — P. 735−746.
- Weinhold F., Carpenter J.E., in Naaman R. (Eds.) The structure of small molecules and ions. / Z. Vager New York, Plenum. — 1988. P. 227−236.
- Reed A.E. Natural bond orbital analysis of near-Hartree-Fock water dimer. / F. Weinhold // J. Chem. Phys. 1983. — V.78, № 6. — P. 4066−4073.
- Reed A.E. Natural localized molecular orbitals. / F. Weinhold // J. Chem. Phys. 1985. — V. 83, № 4. — P. 1736−1740.
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