Klein, D. J., Ferrer, M., Elguero, J., Bytautas, L., & Oliva-Enrich, J. M.
(2021).Hückeloid model for planar boranes. Theoretical Chemistry Accounts.
140(6), 55.
Oliva‐Enrich, J. M., Kondo, T., Alkorta, I., Elguero, J., & Klein, D. J..
(2020).Diborane Concatenation Leads to New Planar Boron Chemistry. ChemPhysChem: a European journal of chemical physics and physical chemistry.
21(21), 2460-2467.
Bhattacharya, D., Shil, S., Misra, A., Bytautas, L., & Klein, D. J.
(2015).Borazine: spin blocker or not?. Physical Chemistry Chemical Physics.
17(21), 14223-14237.
Klein, D. J., & Mandal, B.
(2015).Local Symmetries for Molecular Graphs. Match: Communications in Mathematical and in Computer Chemistry.
74(2), 247-258.
Bhattacharya, D., Panda, A., Misra, A., & Klein, D. J.
(2014).Clar theory extended for polyacenes and beyond. The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory.
118(24), 4325-4338.
Rosenfeld, V. R., Oliva, J. M., & Klein, D. J.
(2012).Chain carborane molecules. Monatshefte fuer Chemie: an international journal of chemistry.
143(3), 361-364.
Yang, W., Zhang, F., & Klein, D. J.
(2010).Benzenoid links. Journal of Mathematical Chemistry.
47(1), 457-476.
Misra, A., Schmalz, T. G., & Klein, D. J.
(2009).Clar theory for radical benzenoids. Journal of Chemical Information and Modeling.
49(12), 2670-2676.
Balaban, A. T., & Klein, D. J.
(2009).Claromatic Carbon Nanostructures. The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter.
113(44), 19123-19133.
Balaban, A. T., Chilakamarri, K. B., & Klein, D. J.
(2009).Protochirons and protohelices. Journal of Mathematical Chemistry.
45(3), 725-747.
Misra, A., Klein, D. J., & Morikawa, T.
(2009).Clar theory for molecular benzenoids. The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory.
113(6), 1151-1158.
Klein, D. J., Ivanciuc, T., Ryzhov, A., & Ivanciuc, O.
(2008).Combinatorics of reaction-network posets. Combinatorial Chemistry and High Throughput Screening.
11(9), 723-733.
Klein, D. J., & March, N. H.
(2008).Critical exponents in D dimensions for the Ising model, subsuming Zhang's proposals for D=3. Physics Letters A: General Physics, Nonlinear Science, Statistical Physics, Atomic, Molecular and Cluster Physics, Plasma and Fluid Physics, Condensed Matter, Cross-disciplinary Physics, Biological Physics, Nanosciences, Quantum Physics.
372(30), 5052-5053.
Pogliani, L., Klein, D. J., & Balaban, A. T.
(2006).Does science also prefer a ternary pattern?. International Journal of Mathematical Education in Science and Technology.
37(4), 379-399.
Klein, D. J., Palacios, J. L., Randi, M., & Trinajsti, N.
(2004).Random Walks and Chemical Graph Theory. Journal of Chemical Information and Modeling.
44(5), 1521-1525.
Peeters, A., Van Alsenoy, C., March, N. H., Klein, D. J., & Van Doren, V. E.
(2001).Boron B-12 cluster embedded in graphitic fragments. The Journal of Physical Chemistry B: Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter.
105(43), 10546-10553.
Santra, S. B., Seitz, W. A., & Klein, D. J.
(2001).Directed self-avoiding walks in random media. Physical Review E: Statistical, Nonlinear, and Soft Matter Physics.
63(6 Pt 2), 067101-067101/4.
Klein, D. J., & Bytautas, L.
(2000).Directed reaction graphs as posets. Match: Communications in Mathematical and in Computer Chemistry.
42(42), 261-290.
Klein, D. J., & Bytautas, L.
(1999).Graphitic edges and unpaired pi-electron spins. The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory.
103(26), 5196-5210.
Zhu, H. Y., Klein, D. J., March, N. H., & Rubio, A.
(1998).Small band-gap graphitic CBN layers. Journal of Physics and Chemistry of Solids.
59(8), 1303-1308.
Klein, D. J., Randic, M., Babic, D., Lucic, B., Nikolic, S., & Trinajstic, N.
(1997).Hierarchical orthogonalization of descriptors. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY.
63(1), 215-222.
Klein, D. J., Zhu, H., Valenti, R., & GarciaBach, M. A.
(1997).Many-body valence-bond theory. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY.
65(5), 421-438.
KLEIN, D. J., RANDIC, M., BABIC, D., & TRINAJSTIC, N.
(1994).ON CONJUGATED-CIRCUIT POLYNOMIALS. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY.
50(5), 369-384.
TRINAJSTIC, N., SCHMALZ, T. G., ZIVKOVIC, T. P., NIKOLIC, S., HITE, G. E., KLEIN, D. J., & SEITZ, W. A.
(1991).[N]PHENYLENES - A THEORETICAL-STUDY. New Journal of Chemistry: a journal for new directions in chemistry.
15(1), 27-31.
Klein, D. J., Cravey, M. J., & Hite, G. E.
(1991).Fractal Benzenoids. Polycyclic Aromatic Compounds.
2(2-3), 163-182.
SCHMALZ, T. G., SEITZ, W. A., KLEIN, D. J., & HITE, G. E.
(1988).ELEMENTAL CARBON CAGES. Journal of the American Chemical Society.
110(4), 1113-1127.
KLEIN, D. J., HERNDON, W. C., & RANDIC, M.
(1988).ON THE CLASSIFICATION OF POLYHEX POLYMERS. New Journal of Chemistry: a journal for new directions in chemistry.
12(1), 71-76.
KLEIN, D. J., SCHMALZ, T. G., HITE, G. E., & SEITZ, W. A.
(1986).RESONANCE IN C-60, BUCKMINSTERFULLERENE. Journal of the American Chemical Society.
108(6), 1301-1302.
KLEIN, D. J., HITE, G. E., SCHMALZ, T. G., & SEITZ, W. A.
(1984).SPIRALLING SELF-AVOIDING WALKS. Journal of Physics A: Mathematical and General.
17(4), L209-L214.
Klein, D. J., & Ivanciuc, T.
(2006).Directed Reaction Graphs as Posets. Partial Order in Environmental Sciences and Chemistry.
(pp. 35-57).
Springer Nature.
KLEIN, D. J., ALEXANDER, S. A., RANDIC, M., & SCHMALZ, T. G.
(1989).POLYRADICALS AND HIGH-SPIN HYDROCARBONS. ACS National Meeting Book of Abstracts.
59-ORGN.