Interacting dimers on a Sierpinski gasket. - William A. Seitz; Douglas J. Klein; Gerald E. Hite (Discret. Appl. Math., 1988)

The conjugated-circuit model. - Sonja Nikolic; Nenad Trinajstic; Douglas J. Klein (Comput. Chem., 1990)

Molecular topological index: a relation with the Wiener index. - Douglas J. Klein; Zlatko Mihalic; Dejan Plavsic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1992)

Chemical graph-theoretical cluster expansion and diamagnetic susceptibility. - Thomas G. Schmalz; Douglas J. Klein; B. L. Sandleback (J. Chem. Inf. Comput. Sci., 1992)

Benzenoids with maximum Kekule structure counts for given numbers of hexagons. - Alexandru T. Balaban; Xiaoyu Liu 007; Sven J. Cyvin; Douglas J. Klein (J. Chem. Inf. Comput. Sci., 1993)

Elemental Benzenoids. - Douglas J. Klein (J. Chem. Inf. Comput. Sci., 1994)

Analytical Approach to Very Large Benzenoid Polymers. - Tomislav P. Zivkovic; Milan Randic; Douglas J. Klein; Hongyao Zhu; Nenad Trinajstic (J. Comput. Chem., 1995)

Nomenclature and Coding of Fullerenes. - Darko Babic; Alexandru T. Balaban; Douglas J. Klein (J. Chem. Inf. Comput. Sci., 1995)

Graph Invariants for Fullerenes. - Alexandru T. Balaban; Xiaoyu Liu 007; Douglas J. Klein; Darko Babic; Thomas G. Schmalz; William A. Seitz; Milan Randic (J. Chem. Inf. Comput. Sci., 1995)

On the Definition of the Hyper-Wiener Index for Cycle-Containing Structures. - Douglas J. Klein; István Lukovits; Ivan Gutman (J. Chem. Inf. Comput. Sci., 1995)

Resonance in Elemental Benzenoids. - Douglas J. Klein; H.-Y. Zhu (Discret. Appl. Math., 1996)

Graph-Geometric Invariants for Molecular Structures. - H.-Y. Zhu; Douglas J. Klein (J. Chem. Inf. Comput. Sci., 1996)

Extensions of the Wiener Number. - H.-Y. Zhu; Douglas J. Klein; István Lukovits (J. Chem. Inf. Comput. Sci., 1996)

Graphic Invariants for Fullerenes [J. Chem. Inf. Comput. Sci 35, 396-404 (1995)]. - Alexandru T. Balaban; Xiaoyu Liu 007; Douglas J. Klein; Darko Babic; Thomas G. Schmalz; William A. Seitz; Milan Randic (J. Chem. Inf. Comput. Sci., 1997)

Partial Orderings in Chemistry. - Douglas J. Klein; Darko Babic (J. Chem. Inf. Comput. Sci., 1997)

Foldedness in linear polymers: A difference between graphical and Euclidean distances. - Laimutis Bytautas; Douglas J. Klein; Milan Randic; Tomaz Pisanski (Discrete Mathematical Chemistry, 1998)

Chemical Combinatorics for Alkane-Isomer Enumeration and More. - Laimutis Bytautas; Douglas J. Klein (J. Chem. Inf. Comput. Sci., 1998)

Alkane Isomer Combinatorics: Stereostructure Enumeration and Graph-Invariant and Molecular-Property Distributions. - Laimutis Bytautas; Douglas J. Klein (J. Chem. Inf. Comput. Sci., 1999)

Wiener-Number-Related Sequences. - Douglas J. Klein; Ivan Gutman (J. Chem. Inf. Comput. Sci., 1999)

Regular affine tilings and regular maps on a flat torus. - Joseph M. Szucs; Douglas J. Klein (Discret. Appl. Math., 2000)

Mean Wiener Numbers and Other Mean Extensions for Alkane Trees. - Laimutis Bytautas; Douglas J. Klein (J. Chem. Inf. Comput. Sci., 2000)

Wiener Index Extension by Counting Even/Odd Graph Distances. - Ovidiu Ivanciuc; Teodora Ivanciuc; Douglas J. Klein; William A. Seitz; Alexandru T. Balaban (J. Chem. Inf. Comput. Sci., 2001)

Computing Wiener-Type Indices for Virtual Combinatorial Libraries Generated from Heteroatom-Containing Building Blocks. - Ovidiu Ivanciuc; Douglas J. Klein (J. Chem. Inf. Comput. Sci., 2002)

Topological Indices and Related Descriptors in QSAR and QSPR Edited by James Devillers & Alexandru T. Balaban. Gordon and Breach Science Publishers: Singapore, 1999, 811 pp, ISBN 90-5699-239-2. - Douglas J. Klein (J. Chem. Inf. Comput. Sci., 2002)

Characterization of Cyclo-Polyphenacenes. - Anirban Misra; Douglas J. Klein (J. Chem. Inf. Comput. Sci., 2002)

Co-authorship, rational Erdős numbers, and resistance distances in graphs. - Alexandru T. Balaban; Douglas J. Klein (Scientometrics, 2002)

Applied Finite Group Actions By Adalbert Kerber. Springer-Verlag 1999, ISBN 35-4065-9412. - Douglas J. Klein (J. Chem. Inf. Comput. Sci., 2003)

Parameter-Free Structure-Property Correlation via Progressive Reaction Posets for Substituted Benzenes. - Teodora Ivanciuc; Douglas J. Klein (J. Chem. Inf. Model., 2004)

Random Walks and Chemical Graph Theory. - Douglas J. Klein; José Luis Palacios; Milan Randic; Nenad Trinajstic (J. Chem. Inf. Model., 2004)

Molecules-in-Molecule Estimation of the Extent of Localization of Kekuléan Substructures in Polycyclic Aromatic Hydrocarbons. - Tetsuo Morikawa; Susumu Narita; Douglas J. Klein (J. Chem. Inf. Model., 2004)

Posetic Quantitative Superstructure/Activity Relationships (QSSARs) for Chlorobenzenes. - Teodora Ivanciuc; Ovidiu Ivanciuc; Douglas J. Klein (J. Chem. Inf. Model., 2005)

The Eight Classes of Positive-Curvature Graphitic Nanocones. - Douglas J. Klein; Alexandru T. Balaban (J. Chem. Inf. Model., 2006)

Is chemistry 'TheCentral Science'? How are different sciences related? Co-citations, reductionism, emergence, and posets. - Alexandru T. Balaban; Douglas J. Klein (Scientometrics, 2006)

Vertex-weightings for distance moments and thorny graphs. - Douglas J. Klein; Tomislav Doslic; Danail Bonchev (Discret. Appl. Math., 2007)

Clar Theory for Radical Benzenoids. - Anirban Misra; Thomas G. Schmalz; Douglas J. Klein (J. Chem. Inf. Model., 2009)

A recursion formula for resistance distances and its applications. - Yujun Yang; Douglas J. Klein (Discret. Appl. Math., 2013)

An infinite family of graphs with a facile count of perfect matchings. - Vladimir R. Rosenfeld; Douglas J. Klein (Discret. Appl. Math., 2014)

Comparison theorems on resistance distances and Kirchhoff indices of S, T-isomers. - Yujun Yang; Douglas J. Klein (Discret. Appl. Math., 2014)

Resistance distance-based graph invariants of subdivisions and triangulations of graphs. - Yujun Yang; Douglas J. Klein (Discret. Appl. Math., 2015)