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- [21] AB-INITIO MOLECULAR-ORBITAL CALCULATIONS ON PYRAZINE-LITHIUM ION-PAIRTHEORETICA CHIMICA ACTA, 1974, 32 (04): : 341 - 345HINCHLIFFE, ACOBB, JCDUKE, AJ
- [23] SUBSTITUENT EFFECTS ON THE STRUCTURES AND ENERGIES OF ISOCYANATES AND IMINES BY AB-INITIO MOLECULAR-ORBITAL CALCULATIONSJOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1994, (10): : 2239 - 2248MCALLISTER, MATIDWELL, TT
- [24] AB-INITIO MOLECULAR-ORBITAL CALCULATIONS, ELECTRONIC-STRUCTURE AND ELECTRON SPECTRUM OF NORBORNADIENECHEMICAL PHYSICS LETTERS, 1972, 15 (03) : 416 - &PALMER, MHFINDLAY, RH
- [26] THEORETICAL INVESTIGATION OF THE ELECTRONIC-STRUCTURE OF NIO BY AB-INITIO MOLECULAR-ORBITAL CALCULATIONSJOURNAL OF PHYSICS-CONDENSED MATTER, 1995, 7 (08) : 1583 - 1596TAKAHASHI, HMUNAKATA, FYAMANAKA, M
- [27] AB-INITIO CALCULATIONS ON LARGE MOLECULES .3. AB-INITIO AND SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS ON 1,6-METHANO[10]ANNULENETETRAHEDRON LETTERS, 1975, (11) : 933 - 936GRUNEWALD, GLUWAYDAH, IMCHRISTOFFERSEN, RESPANGLER, D
- [28] AB-INITIO CALCULATIONS ON BENZYL RADICALCHEMICAL PHYSICS LETTERS, 1972, 13 (06) : 594 - +HINCHLIFFE, A
- [29] AB-INITIO MOLECULAR-ORBITAL STUDY OF 1-FLUOROSILATRANEJOURNAL OF COMPUTATIONAL CHEMISTRY, 1994, 15 (04) : 385 - 394CSONKA, GIHENCSEI, P
- [30] AB-INITIO MOLECULAR-ORBITAL STUDY OF TOLUENE AND ITS DERIVATIVESJOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (41): : 15023 - 15027CHEN, PCWU, CW