NBO References and Bibliography
-
NBO 5.0 Program.
NBO 5.0. E. D. Glendening, J, K. Badenhoop, A. E. Reed,
J. E. Carpenter, J. A. Bohmann, C. M. Morales, and F. Weinhold,
Theoretical Chemistry Institute, University of Wisconsin, Madison (2001).
-
Natural Bond Orbitals.
J. P. Foster and F. Weinhold, J. Am. Chem. Soc. 102, 7211-7218 (1980).
-
Natural Atomic Orbitals and Natural Population Analysis.
A. E. Reed and F. Weinhold, J. Chem. Phys. 78, 4066-4073 (1983);
A. E. Reed, R. B. Weinstock, and F. Weinhold,
J. Chem. Phys. 83, 735-746 (1985).
-
Natural Localized Molecular Orbitals.
A. E. Reed and F. Weinhold, J. Chem. Phys. 83, 1736-1740 (1985).
-
Open-Shell NBO.
J. E. Carpenter and F. Weinhold, J. Mol. Struct. (Theochem) 169,
41-62 (1988);
J. E. Carpenter, Ph.D. Thesis, University of Wisconsin, Madison, 1987.
-
Comprehensive Reviews of NBO Methods.
F. Weinhold, ``Natural Bond Orbital Methods,'' in,
Encyclopedia of Computational Chemistry,
P. v.R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman,
H. F. Schaefer III, P. R. Schreiner (Eds.),
(John Wiley & Sons, Chichester, UK, 1998), Vol. 3, pp. 1792-1811;
E. D. Glendening, C. R. Landis, and F. Weinhold, WIREs Comput. Mol. Sci.
2, 1-42 (2012).
-
Other Review Articles.
A. E. Reed, L. A. Curtiss, and F. Weinhold,
Chem. Rev. 88, 899-926 (1988);
F. Weinhold and J. E. Carpenter, in, R. Naaman and Z. Vager (eds.),
The Structure of Small Molecules and Ions
(Plenum, New York, 1988), pp. 227-236;
F. Weinhold, in, A. G. Kutateladze (ed.), Computational Methods in
Organic Photochemistry: Molecular and Supramolecular Photochemistry
(Taylor & Francis/CRC Press, Boca Raton FL, 2005), pp. 393-476.
-
Guidebook to Practical NBO Usage.
F. Weinhold and C. R. Landis, Discovering Chemistry with Natural
Bond Orbitals (Wiley,
2012), in press.