Ray Hefferlin

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Ray Hefferlin
Born Ray Alden Hefferlin
Paris, France
Died Template:Death date
Collegedale, Tennessee, USA
Education BS, Pacific Union College
PhD, California Institute of Technology[1]
Occupation Research professor in physics

Ray Hefferlin (1929 – March 7, 2015) was a physicist and academic. He taught at Southern Adventist University and conducted research on periodic systems of small molecules.


Hefferlin was born in Paris to an American father and Swiss mother; he moved to the United States with this father after his parents divorce when he was seven.[2] His research was in the area of periodic systems of small molecules.[3] He taught at Southern Adventist University in Collegedale, Tennessee, from 1955 until his death.[3] He received the Pegram Award from the Southeastern Section of the American Physical Society and the Professor of the Year Gold Medal Award of the Council for the Advancement and Support of Education.[3]

In 1979 Hefferlin published a periodic ordering of all of the diatomic molecules that could result from combinations of the first 118 elements on the periodic table; unlike earlier such systems, such as that of C. H. Douglas Clark, it was multi-dimensional. According to Scientific American, it allowed researchers to accurately predict the characteristics of diatomic molecules.[4]

Hefferlin died on March 7, 2015, in Collegedale.[2][5][6]


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).

Periodicity and periodic systems of molecules

  • 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 of 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. Mapping out PQ=QP Redundancies in N X N Data Arrays, Int. J. Chem. Model. 1, 415-420 (2009). [A molecular periodic system mapped onto Moebius strips.]
  • Hefferlin, R. Periodic Systems of Small Molecules, Wikipedia.
  • Burdick, Gary W. and Hefferlin, Ray, Data Location in a Four-Dimensional Periodic system of Diatomic Molecules, in Putz, Mihai V, Editor, Chemical Information and Computational Challenges, Nova Science Publishers, 2011.
  • Hefferlin, R. Barrow, J. Do Triatomic Molecules Echo Atomic Periodicity? viXra Chemistry 1403.0946 second revision June 26, 2014.

Periodic systems of molecules and other small objects

  • Hefferlin, R. Molecular Taxonomy: string, quark, hadron, nuclear, atomic and chemical-molecular or invariant systems. Lambert Academic Publishers, Saarbrueken, Germany, 2011.
  • Ding-Yu Chung and Ray Hefferlin, The Higgs Boson in the Periodic System of Elementary Particles, J. Mod. Phys. 4, 21-26, 2013.
  • Hefferlin, R. Molecular Taxonomy, in Basak, S. C., Restrepo, G., Villaveces, J. L., Editors, Advances in Mathematical Chemistry and Applications, Vol. 1, Bentham, 2014, pp. 308–321. In press as of July 10, 2014

Periodic systems of molecules based on group dynamics

  • Zhuvikin, G. V. and Hefferlin, R. Periodicheskaya Sistema Dvykhatomnikh Molekul: Teoretiko-Gruppovoj Podkhod, Vestnik Leningradsckovo Universiteta, No. 16, 1983, pp. 10–16. No abstract.
  • 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 a 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.
  • 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.
  • 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., Two Descriptors for Series of Congeneric Molecules, Croat. Chem. Acta 82, 595-598, 2009. [This article was accepted in 2007; it is a follow-on to "A Periodicity-Sensitive Vector Index for Small Molecules," Croat. Chem. Acta, 79, 559-571, 2006]
  • Hefferlin, R., Discrete Vector Calculus on Periodic Systems of Atoms and Molecules, J. Math. Chem., 43, 386-394, 2007.
  • Gary W. Burdick and Ray Hefferlin, "Data Location in a Four-Dimensional Periodic System of Diatomic Molecules," Chapter 7, Pages 197-212 of Mahai Putz, Editor, Chemical Information and Computational Challenges in the 21st Century, a Celebration of the 2011 International Year of Chemistry, Nova Publishers, January 11, 2013 ISBN 978-1-61209-712-1.
  • Ray Hefferlin, Jonathan Sackett, Jeremy Tatum, Why do Molecules echo Atomic Periodicity? Int. J. Quant. Chem., DOI 10.1002/qua.24469, 2013
  • Ray Hefferlin and Joshua Barrow, Do Triatomic Molecules echo Atomic Periodicity? viXra 1403.0946, 2014.

Algebraic study of molecules that obey the octet rule, and rules of 2, 18, and 12

  • James, B., K. Caviness, J. Geach, C. Walters, and R. Hefferlin, Global Molecular Identification from Graphs. Neutral and Ionized Main-Group Diatomic Molecules, J. Chem. Inf. Comp. Sci. 42, 1-7, 2002.
  • 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.
  • Vukicevic, D., Hefferlin, R. A Graph-Theory Approach to Global Determination of Octet Molecules, MATCH Comm. Math. Comput. Chem., 57, 557-572, 2007

Fitting data and prediction using graphical, least squares, and neural-network techniques

  • Hefferlin, R. and W. Innis, The Differential Coefficient (ðP/ðn)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, Estimation of Properties of Triatomic Molecules from Tabulated Data Using Least-squares Fitting. 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 [ISSN 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.
  • R. Hefferlin, Vibration Frequencies using Least squares and Neural Networks for 50 new s and p Electron Diatomics, J. Quant. Spectr. Radiat. Transf. 111, 71-77, 2010; [Advanced Web publication, DOI information 10.1016/j.jqsrt.2009.08.004]
  • R. Hefferlin, Internuclear Separations using Least squares and Neural Networks for 46 new s and p Electron Diatomics, Int. J. Mol. Model, 4 (#1), 13-20, 2012. Draft available at http://viXra.org/abs/1208.0026..
  • Ray Hefferlin, Jonathan Sackett and Jeremy Tatum Systematics and Prediction in Franck-Condon Factors, Chapter 8, Pages 179-191, in Kiyoshi Nishikawa, Jean Maruani, Erkki J. Braendas, Gerardo Delgado-Barrio and Piotr Piecuch, Editors, “Quantum Systems in Chemistry and Physics,” Nova Publishers, January 11, 2013 [ISBN 978-94-007-5296-2].


  • 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 paste in.
  • Hefferlin, R., Kronecker-Product Periodic Systems of Small Gas-Phase Molecules and the Search for Order in Atomic Ensembles of Any Phase, Comb. Chem. High Through. Screen. 11, 690-706, 2008.