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Pure Appl. Chem., 1996, Vol. 68, No. 2, pp. 387-456

http://dx.doi.org/10.1351/pac199668020387

PHYSICAL AND BIOPHYSICAL CHEMISTRY DIVISION
WORKING PARTY ON THEORETICAL AND COMPUTATIONAL CHEMISTRY

Acronyms used in theoretical chemistry

R. D. Brown, J. E. Boggs, R. Hilderbrandt, K. Lim, I. M. Mills, E. Nikitin and M. H. Palmer

Individual author index pages

Other PAC articles by these authors

J. E. Boggs
Guidelines for presentation of methodological choices in the publication of computational results. A. Ab initio electronic structure calculations (IUPAC Recommendations 1998)
1998, Vol. 70, Issue 4, pp. 1015-1018 [Details] [Full text - pdf 274 kB]
P. R. Bunker, C. J. H. Schutte, J. T. Hougen, I. M. Mills, J. K. G. Watson and B. P. Winnewisser
Notations and conventions in molecular spectroscopy: Part 3. Permutation and permutation-inversion symmetry notation (IUPAC Recommendations 1997)
1997, Vol. 69, Issue 8, pp. 1651-1658 [Details] [Full text - pdf 352 kB]
C. J. H. Schutte, J. E. Bertie, P. R. Bunker, J. T. Hougen, I. M. Mills, J. K. G. Watson and B. P. Winnewisser
Notations and conventions in molecular spectroscopy: Part 2. Symmetry notation (IUPAC Recommendations 1997)
1997, Vol. 69, Issue 8, pp. 1641-1650 [Details] [Full text - pdf 428 kB]
C. J. H. Schutte, J. E. Bertie, P. R. Bunker, J. T. Hougen, I. M. Mills, J. K. G. Watson and B. P. Winnewisser
Notations and conventions in molecular spectroscopy: Part 1. General spectroscopic notation (IUPAC Recommendations 1997)
1997, Vol. 69, Issue 8, pp. 1633-1640 [Details] [Full text - pdf 327 kB]
J. E. Boggs
Accurate computational prediction of molecular structure and spectra
1988, Vol. 60, Issue 2, pp. 175-182 [Details] [Full text - pdf 616 kB]
R. D. Brown
Microwave spectral studies of interstellar molecules
1978, Vol. 50, Issue 8, pp. 771-779 [Details] [Full text - pdf 271 kB]
S. H. Koenig, R. D. Brown, R. E. London, T. E. Needham and N. A. Matwiyoff
The kinetic parameters of carbonic anhydrase by 13C nuclear magnetic resonance
1974, Vol. 40, Issue 1, pp. 103-113 [Details] [Full text - pdf 296 kB]
I. M. Mills
Coriolis interactions, intensity perturbations and potential functions in polyatomic molecules
1965, Vol. 11, Issue 3, pp. 325-344 [Details] [Full text - pdf 1085 kB]