- A detailed treatment: Streitweiser A (1961) Molecular orbital theory for organic chemists.
Wiley, New York, pp 13, 16 - (a) Hoffmann R (1963) J Chem Phys 39:1397. (b) Hoffmann R (1964) J Chem Phys 40:2474.
(c) Hoffmann R (1964) J Chem Phys 40:2480. (d) Hoffmann R (1964) J Chem Phys 40:2745.
(e) Hoffmann R (1966) Tetrahedron 22:521. (f) Hoffmann R (1966) Tetrahedron 22:539. (g)
Hay PJ, Thibeault JC, Hoffmann R (1975) J Am Chem Soc 97:4884 - Wolfsberg M, Helmholz L (1952) J Chem Phys 20:837
- Actually,valence stateionization energies are usually used; see Pritchard HO, Skinner HA
(1955) Chem Rev 55:745; Hinze J, Jaffe HH (1962) J Am Chem Soc 84:540; Stockis A,
Hoffmann R (1980) J Am Chem Soc 102:2952 - Pilar FL (1990) Elementary quantum chemistry. McGraw-Hill, New York, pp 493–494
- Szabo A, Ostlund NS (1989) Modern quantum chemistry. McGraw-Hill, New York,
pp 168–179. This describes an ab initio (chapter 5) calculation on HeH+, but gives information
relevant to our EHM calculation - Roothaan CCJ (1951) J Chem Phys 19:1445
- Hoffmann R (1988) Solids and surfaces: a chemist’s view of bonding in extended structures.
VCH Publishers, New York - (a) A polymeric rhenium compound: Genin HS, Lawler KA, Hoffmann R, Hermann WA,
Fischer RW, Scherer W (1995) J Am Chem Soc 117:3244. (b) Chemisorption of ethyne on
silicon, Liu Q, Hoffmann R (1995) J Am Chem Soc 117:4082. (c) A carbon/sulfur polymer,
Genin H, Hoffmann R (1995) J Am Chem Soc 117:12328 - (a) IrH 2 (SC 5 H 5 N) 2 (PH 3 ) 2 : Liu Q, Hoffmann R (1995) J Am Chem Soc 117:10108. (b)
[Ni(SH) 2 ] 6 : Alemany P, Hoffmann R (1993) J. Am Chem Soc 115:8290; Mn clusters:
Proserpio DM, Hoffmann R, Dismukes GC (1992) J Am Chem Soc 114:4374 - Ammeter JH, B€urgi H-B, Thibeault JC, Hoffmann R (1978) J Am Chem Soc 100:3686
- Superior results from EHM compared to MINDO/3 and MNDO, for nonplanarity of certain
C/C double bonds: Spanget-Larsen J, Gleiter R (1983) Tetrahedron 39:3345 - An EHM said to give good geometries: Dixon SL, Jurs PC (1994) J Comp Chem 15:733
References 171