- Baeyer A (1885) Ber Dtsch Chem Ges 18:2269
- Smith MB, March J (2001) March’s advanced organic chemistry. Wiley, New York,
pp 180–191 - Kybett BD, Carroll S, Natalis P, Bonnell DW, Margrave JL, Franklin JL (1966) J Am Chem
Soc 88:626 - Lewars E (2008) Modeling marvels: computational anticipation of novel molecules.
Springer, The Netherlands, chapters 12 and 13 - (a) Whole issue devoted to reviews of aromaticity: (2005) Chem Rev 105(10). (b) Whole
issue devoted to reviews of aromaticity: (2001) Chem Rev 101(5) - (a)Schleyer PvR, Jiao H, Goldfuss B (1995) Angew Chem Int Ed Engl 34:337. (b) George P,
Trachtman M, Brett AM, Bock CW (1977) J Chem Soc Perkin Trans 2:1036. (c) Hehre WJ,
McIver RT, Pople JA, Schleyer PvR (1974) J Am Chem Soc 96:7162. (d) Radom L (1974)
Chem Commun 403 - Fabian J, Lewars E (2004) Can J Chem 82:50
- (a) Golas E, Lewars E, Liebman J (2009) J Phys Chem A (accepted June 2009). (b) Delamere
C, Jakins C, Lewars E (2001) Can J Chem 79:1492 - Fink WH, Richards JC (1991) J Am Chem Soc 113:3393
- Slayden SW, Liebman JF (2001) Chem Rev 101:1541
- Schleyer PvR, Puhlhofer F (2002) Org Lett 4:2873
- Mo Y (2009) J Phys Chem A 113:5163
- Lewars E (2008) Modeling marvels: computational anticipation of novel molecules.
Springer, The Netherlands, chapter 3 - (a) Wiberg KB (2001) Chem Rev 101:1317. (b) de Meijere A, Haag R, Sch€ungel F-M,
Kozhushkov SI, Emme I (1999) Pure Appl Chem 71:253 - Moskowitz JW, Schmidt KE (1984) NATO ASI Series, Series C: mathematical and physical
sciences (1984), 125(Monte Carlo Methods Quantum Probl.), 59–70 - Bauschlicher CW, Langhoff SR (1991) Science 254:394
- G1: Pople JA, Head-Gordon M, Fox DJ, Raghavachari K, Curtiss LA (1989) J Chem Phys
90:5622 - The first in the series was Gaussian 70 and the latest (June 2009) is Gaussian 09. Gaussian
Inc., 340 Quinnipiac St Bldg 40, Wallingford, CT 06492 USA. [email protected] - G2: Curtiss LA, Raghavachari K, Trucks GW, Pople JA (1991) J Chem Phys 94:7221
- G3: Curtiss LA, Raghavachari K, Redfern PC, Rassolov V, Pople JA (1988) J Chem Phys
109:7764 - G4: Curtiss LA, Redfern PC, Raghavachari K (2007) J Chem Phys 126:084108/1-084108/12
- G3(MP2): Curtiss LA, Redfern PC, Raghavachari K, Rassolov V, Pople JA (1999) J Chem
Phys 110:4703 - G3(B3) and G3(MP2B3): Baboul AG, Curtiss LA, Redfern PC, Raghavachari K (1999)
J Chem Phys 110:7650 - Curtiss LA, Redfern PC, Raghavachari K (2007) J Chem Phys 127:124105
- Mayhall NJ, Raghavachari K, Redfern PC, Curtiss LA (2009) J Phys Chem A 113:5170
- Petersson GA, Montgomery JA Jr, Frisch MJ, Ochterski JW (2000) J Chem Phys 112:6532
- Montgomery JA Jr, Frisch MJ, Ochterski JW, Petersson GA (1999) J Chem Phys 110:2822
- (a) Benassi R, Taddei F (2000) J Comput Chem 21:1405. (b) Benassi R (2001) Theor Chem
Acc 106:259 - Martin JML, de Oliveira G (1999) J Chem Phys 111:1843
- Boese AD, Oren M, Atasoylu O, Martin JML, Ka ́llay M, Gauss J (2004) J Chem Phys
120:4129 - Pokon EK, Liptak MD, Feldgus S, Shields GC (2001) J Phys Chem A 105:10483
- Bond D (2007) J Org Chem 72:5555
- Bond D (2007) J Org Chem 72:7313
- Ess DH, Houk KN (2005) J Phys Chem A 109:9542
382 5 Ab initio Calculations