The scientist’s investigation covers issues in Combinatorics, Computational chemistry, Wiener index, Hückel method and Pure mathematics. His Combinatorics study frequently intersects with other fields, such as Discrete mathematics. His studies in Computational chemistry integrate themes in fields like Octahedral symmetry, Electronegativity, Boron, MNDO and Hamiltonian.
The study incorporates disciplines such as Kirchhoff index, SIMPLE algorithm, Matrix and Topological index in addition to Wiener index. His Hückel method research incorporates elements of Atomic cluster, Buckminsterfullerene, Electronic structure and Spin-½. His Molecule research is multidisciplinary, incorporating perspectives in Elemental carbon, Molecular physics and Polyhedron.
Combinatorics, Computational chemistry, Condensed matter physics, Discrete mathematics and Molecule are his primary areas of study. Graph, Resistance distance, Enumeration, Graph theory and Wiener index are subfields of Combinatorics in which his conducts study. His Resistance distance study often links to related topics such as Kirchhoff index.
His Computational chemistry research includes elements of Chemical physics, Aromaticity, Conjugated system, Molecular physics and Hückel method. His Condensed matter physics research is multidisciplinary, incorporating elements of Electron and Valence bond theory. Douglas J. Klein studies Generalized valence bond, a branch of Valence bond theory.
His primary scientific interests are in Combinatorics, Condensed matter physics, Crystallography, Resistance distance and Computational chemistry. His Combinatorics research integrates issues from Discrete mathematics and Product. The Condensed matter physics study combines topics in areas such as Electron, Graphene and Ground state.
His Icosahedral symmetry study in the realm of Crystallography connects with subjects such as Borane. The various areas that Douglas J. Klein examines in his Resistance distance study include Kirchhoff index, Mathematical analysis, 1-planar graph, Graph product and Moore–Penrose pseudoinverse. His Computational chemistry research is multidisciplinary, relying on both Aromaticity, Theoretical physics, Chromophore, Graph theory and Uniqueness.
Douglas J. Klein mainly investigates Combinatorics, Kirchhoff index, Molecule, Computational chemistry and Diradical. His Combinatorics research incorporates themes from Discrete mathematics and Invertible matrix. Douglas J. Klein has included themes like Recursion, Straight chain, Point, Random walk and Calculus in his Kirchhoff index study.
His research in Molecule intersects with topics in Chemical physics and Photochemistry, Chromophore. Douglas J. Klein combines subjects such as Structure, Aromaticity, Forcing, Chemistry and Graph theory with his study of Computational chemistry. His biological study spans a wide range of topics, including Crystallography, Intramolecular force, Ferromagnetism and Density functional theory.
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On the definition of the hyper-Wiener index for cycle-containing structures
Douglas J. Klein;István Lukovits;Ivan Gutman.
Journal of Chemical Information and Computer Sciences (1995)
Graphitic polymer strips with edge states
D.J. Klein.
Chemical Physics Letters (1994)
Extensions of the Wiener Number
H.-Y. Zhu;Douglas J. Klein;István Lukovits.
Journal of Chemical Information and Computer Sciences (1996)
Molecular cyclicity and centricity of polycyclic graphs. I. Cyclicity based on resistance distances or reciprocal distances
Danail Bonchev;Alexandru T. Balaban;Xiaoyu Liu;Douglas J. Klein.
International Journal of Quantum Chemistry (1994)
Degenerate perturbation theory
D. J. Klein.
Journal of Chemical Physics (1974)
Icosahedral symmetry carbon cage molecules
D. J. Klein;W. A. Seitz;T. G. Schmalz.
Nature (1986)
Resistance-Distance Sum Rules*
Douglas J. Klein.
Croatica Chemica Acta (2002)
Resistance-distance matrix: A computational algorithm and its application
Darko Babić;Douglas Klein;Istvan Lukovits;Sonja Nikolić.
International Journal of Quantum Chemistry (2002)
Graphical properties of polyhexes: perfect matching vector and forcing
Frank Harary;Douglas J. Klein;Tomislav P. Živkovič.
Journal of Mathematical Chemistry (1991)
Molecular topological index: a relation with the Wiener index
Douglas J. Klein;Zlatko Mihalic;Dejan Plavsic;Nenad Trinajstic.
Journal of Chemical Information and Computer Sciences (1992)
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