The "Adjacent Diatomics-in-Molecules" model

Cavanaugh, R., R. Marsa, J. Robertson, and R. Hefferlin, Adjacent-DIM-isoelectronic molecules and chemical similarity among triatomics. J. Mol. Structure, 382, 137-145 (1996).

Hefferlin, R. and Matus, M.T., Molecular Similarity for Small Species: Refining the Isoelectronic Index, J. Chem. Inf. Comp. Sci. 41, 484-494 (2001).

Hefferlin, R., Systematics of Diatomic Molecular Transition Moments: Encouraging Progress -- II. J. Quant. Spectrosc. Radiat. Transfer 16, 1101-1108, 1976.

Hefferlin, R. et al, The Periodic Table of Diatomic Molecules. -- I. An Algorithm for Retrieval and Predication of Spectrophysical Properties. J. Quant. Spectrosc. Radiat. Transfer 21, 315-336, 1979. 

Hefferlin, R. et al, A Periodic Table Of Free Diatomic Molecules. II. Predicted Internuclear Separations from Curve-Fitted Data. J. Quant. Spectrosc. Radiat. Transfer 21, 337-354, 1979. 

Hefferlin, R. and H. Kuhlman, The Periodic System For Free Diatomic Molecules -- III. Theoretical Articulation. J. Quant. Spectrosc. Radiat. Transfer 24, 379-383, 1980. 

Hefferlin, R. and M. Kutzner, Systematics of Ground-State Potential Minima between two Main-Group Atoms or Ions. J. Chem. Phys. 75, 1035-1036, 1981. 

Hefferlin, R. et al, Periodic Systems of N-atom Molecules. J. Quant. Spectrosc. Radiat. Transfer 32, 257-268, 1984. 

Hefferlin, R., Periodic systems, in B.H. Banathy, Proceedings of the Society for General Systems Research, Vol. II, Applications. International Conference, May 27-31, 1985, Los Angeles, Intersystems Publications, Seaside, CA, 1985, pp. 573-582. 

Hefferlin, R., Periodic Systems of Molecules and their Relation to the Systematic Analysis of Molecular Data, Edwin Mellin Press, Lewiston, New York, 1989. 

Hefferlin, R., Molecule, in McGraw-Hill Yearbook of Science and Technology, McGraw-Hill, 1989, pp. 224-228. 

Hefferlin, R., Matrix-product Periodic Systems of Molecules. J. Chem. Inf. Comp. Sci. 34, 314-317, 1994.

Hefferlin, R., Comment on "Periodicity and Peculiarity in 120 First- and Second-row Diatomic Molecules". J. Phys. Chem. 99, 5222, 1995.

Latysheva, V. A.and Hefferlin, R. Periodic Systems of Molecules as Elements of Shchukarev’s “Supermatrix”, i.e. Chemical Element Periodic System. J. Chem. Inf. Comput. Sci. 44, 1202, 2004.

Hefferlin, R. Hasse Diagrams and their Relation to Molecular Periodicity, in R. Brueggemann and L. Carlsen, Partial Order in Environmental Sciences and Chemistry, Springer, Berlin, 2006, pp. 27-33. 

Hefferlin, R. A Moebius-Strip Representation of the Matrix-Product Periodic System of Diatomic Molecules, Paper #APR07-2006-000080, April 2007 Annual Meeting of the American Physical Society, Jacksonville, Florida

Zhuvikin, G.V. and R. Hefferlin, Periodicheskaya Sistema Dvykhatomnikh Molekul: Teoretiko-Gruppovoj Podkhod, Vestnik Leningradsckovo Universiteta, No. 16, 1983, pp. 10-16.

Hefferlin, R., Classification of molecules and group theory, in Y. Saint-Aubin and L. Vinet, XVIIth International Colloquium on Group Theoretical Methods in Physics, June 27 to July 2, 1988, Sainte-Adele, Canada, World Scientific, Singapore, 1989, pp. 652-655.

Zhuvikin, G.V. and R. Hefferlin, Bosonic Symmetry and Periodic Systems of Molecules, in M.A. del Olmo, M. Santander, and J.M. Guilarte, Group Theoretical Methods in Physics. Proceedings of the XIX International Colloquium, Salamanca, Spain, 1992, vol. II. Anales de Fisica, Monographias 1, Real Sociedad Espanola de Fisica, 1992, pp. 358-361. 

Zhuvikin, G.V. and R. Hefferlin, R., Symmetry Principles for Periodic Systems of Molecules, Joint Report #1 of the Physics Departments of Southern College, Collegedale, TN, USA and St. Petersburg University, St. Petersburg, Russia, Sept. 11, 1994.

Carlson, C.M., R. Hefferlin, and G.V. Zhuvikin, Analysis of Group Theoretical Periodic Systems of Molecules using Tabulated Data, Joint Report #2 of the Physics Departments of Southern College, Collegedale, TN,USA and St. Petersburg University, St. Petersburg, Russia, March, 1995. 

Carlson, C.M., R.J. Cavanaugh, R.A. Hefferlin, R.A., and G.V. Zhuvikin, Complete, Verified, Group-dynamic Molecular Periodic Systems, in A. Arima, T. Eguchi, and N. Nakanishi, Yamada conference XL: XX International colloquium on group theoretical methods in physics, World Scientific, Singapore, 1995, pp. 211-214. 

Carlson, C.M., R.J. Cavanaugh, R.A. Hefferlin, and G.V. Zhuvikin Periodic Systems of Molecular States from the Boson Group Dynamics of SO(3)xSU(2)s. J. Chem. Inf. Comp. Sci. 36, 396-398 (1996).

Hefferlin, R.A., A.V. Sepman, and G.V. Zhuvikin, Molecular Multiplets of Alkaline Atoms. J. Chem. Inf. Comp. Sci. 36, 399-401 (1996).

Molecular Space: Periodicities, Symmetries, and Vector Properties; Predictions for Molecular Data Based on LaPlace's Equation and on an new Vector Index

Hefferlin, R., Field Theory for Chemical Spaces, in V. Alexiades and G. Siopsis, Trends in Mathematical Physics. AMS/IP Studies in Advanced Mathematics vol. 13, American Mathematical Society, Providence, RI, and International Press, Cambridge, MA, 1999, pp. 279-284, 1999.

Hefferlin, R., Numerical Solutions of the Laplace Equation in Chemical Space, in Hansen, P., Fowler, P. and Zheng, M.L., Discrete Mathematical Chemistry (DIMACS Workshop, Proceedings of the Workshop on Discreet Mathematical Chemistry, Dimacs Center, Piscataway, NJ, March 23-24, 1998), Series in Discrete Mathematics and Computer Science, vol. 51; the American Mathematical Society, 2000, pp. 199-201.

Hefferlin, R., The Textures of Chemical Spaces, J. Mol. Struct. THEOCHEM 506, 71-86, 2000. There are unfortunately several errors in Section 5.5: (1) Pg. 79, left, line 8 should read "three double-octets"; (2) Eq. (6), second equation, "= 8"; (3) six and five lines above Eq. (9), "the plane ... " should read "a plane parallel to those described earlier; (4) three lines above Eq. (9), "Acyclic" should read "Linear or bent"; (5) three lines above Eq. (11), "There are kite-shaped species such as COOO and its isovalent counterparts".

Hefferlin, R. and Knoll, J., On the Use of Laplace's Equation for Global Predictions of Internuclear Separation and Dissociation Energy, J. Math. Chem. 28, 169-192, 2000.

Luk, K., R. Hefferlin and W.B. Davis How Deep in Molecular Space can Periodicity be Found?, WSEAS 9th CSCC Multiconference, Vouliagmeni, Athens, July 11-16, 2005 [ISSN 1790-0832; CD ISBN 960-8457-29-7, paper 497-338].

Hefferlin, R. and Ken Luk, A Periodicity-Sensitive Vector Index for Small Molecules, Croat. Chem. Acta, 79, 559-571, 2006.

Geach, J., C. Walters, B. James, K.E. Caviness, and R.A. Hefferlin, Global Molecular Identification from Graphs. Main-Group Triatomic Molecules, Croatica Chemica Acta 75, 383-400, 2002.

Walters, C.J., K.E. Caviness, and R. Hefferlin, Global Molecular Identification from Graphs. IV. Molecules with Four Closed p-Shell Atoms and beyond, Croat. Chem. Acta, 77, 65-71, 2004.

Hefferlin, R. Algebraic Characterization of Simple Transition-Metal Molecules, Croat. Chem. Acta, 80, 227-232, 2007.

Damir Vukičević and Ray Hefferlin, A Graph-Theory Approach to Global Determination of Octet Molecules, Match -- Commun. Math. Comput. Chem, vol. 57, #3, pp. 557-572, 2007.

Hefferlin, R. and W. Innis, The Differential Coefficient (dp/dn)|ne for Properties of Diatomic Molecules and Atoms. J. Quant. Spectrosc. Radiat. Transfer 24, 97-112, 1983. 

Hefferlin, R., B. Davis, and B. Laing, The Learning and Prediction of Triatomic Molecular Data with Neural Networks, in Demidov, V., IAS'97. Murmansk. Proceedings of the Second International Arctic Seminar, Physics and Mathematics, Murmansk State Pedagogical Institute, Murmansk, Russia, 1997, pp. 31-36.

Carlson, C., J. Gilkeson, K. Linderman, S. LeBlanc, and R. Hefferlin, Global Forecasting of Data using Least-squares Methods and Molecular Databases: a Feasibility Study using Triatomic Molecules. Croatica Chemica Acta 70, 479-508 (1997).

Wohlers, J., W.B. Laing, R. Hefferlin, and W.B. Davis, Least-squares and Neural-network Forecasting from Critical Data: Diatomic Molecular re and Triatomic DeltaHa and IP, in Carbo-Dorca, R. and P. G. Mezey, Advances in Molecular Similarity, vol. 2, 1998, JAI Press, Stamford, CT, 1998, pp. 265-287.

Hefferlin, R. and Kuznetsova, L.A., Systematics of Diatomic Molecular Transition Moments, J. Quant. Spectrosc. Radiat. Transfer, 62, 765-774 (1999).

Hefferlin, R., Davis W.B., J. Ileto, An Atlas of Forecasted Molecular Data. 1. Internuclear Seperations of Main-Group and Transition-Metal Neutral Gas-Phase Diatomic Molecules in the Ground State, J. Chem. Inf. Comp. Sci. 43, 622-628, 2003.

Davis, W. B. and R. Hefferlin, Neural Networks in Mining Molecular Properties from Tabulated Data, WSEAS Transactions on Information Science and Applications, vol. 2, 951-953, 2005 [ISBN 1790-0832].

W.B. Davis and R. Hefferlin, An Atlas of Forecasted Molecular Data. 2. Vibration Frequencies of Main-Group and Transition-Metal Neutral Gas-Phase Diatomic Molecules in the Ground State, J. Chem. Inf. Comp. Sci. 46, 820-825, 2006.

Hefferlin, R. and Ken Luk, A Periodicity-Sensitive Vector Index for Small Molecules 2. Simplifications and additional evidence of periodicity, Croat. Chem. Acta, 79, 559-571, 2006.

Hefferlin, R., The 50th Anniversary of work on molecular periodic systems: Broad scientific and human-interest aspects, Southern Scholars Journal, College Press, Collegedale, TN, 1987, pp. 38-44.

Hefferlin, R., E. V. Babaev, and G.W. Burdick, Periodic Systems of Molecules: Physical and Chemical, Report #1 of the Physics Department, Southern College, Collegedale, TN, USA, Nov. 17, 1994.

Hefferlin, R and G.U.[should be W.] Burdick, Fizicheskie i khimicheskie periodicheskie sistemy molekul, Zhurnal Obshchei Xhimii 64, 1870-1885, 1994 (English translation: Periodic Systems of Molecules: Physical and Chemical, Russ. J. Gen. Chem. 64, 1659-1674,1994)

Babaev, E. V. and R. Hefferlin, The Concepts of Periodicity and Hyper-periodicity: from Atoms to Molecules, in Rouvray, D.H. and E.C. Kirby, Concepts in Chemistry, Research Studies Press Limited, Taunton, Somerset, England, 1996.

Hefferlin, R., The Periodic Systems of Molecules: Presuppositions, Problems, and Prospects, in Baird, D., Scerri, E, and McIntyre, L., Philosophy of Chemistry, Boston Studies in the Philosophy of Science, Vol. 242, Kluwer Academic Publishers, Springer, Dodrecht, the Netherlands, pp. 221-243, 2006. Fig. 7 on pg. 237 is incorrect (though the caption is not); please contact the author for a correct figure that you can past in.