1. J. Bicerano
and A. A. Frost, "FSGO Calculations of Octahydrotriborate Anion and
Tetraborane", Theoretica Chimica
Acta, 35, 81-87,
1974.
2. J.
Bicerano, D. S. Marynick and W. N. Lipscomb, "Basis Set and Electron
Correlation Effects on the Total Electron Density in H2O,
H2S, and BH", J. Am. Chem. Soc., 100, 732-739,
1978.
3. J. Bicerano,
D. S. Marynick and W. N. Lipscomb, "Large Closo Boron Hydrides",
Inorganic Chemistry, 17, 2041, 1978.
4. J. Bicerano,
D. S. Marynick and W. N. Lipscomb, "Molecular Orbital Studies on
Large Closo Boron Hydrides", Inorganic
Chemistry, 17,
3443-3453, 1978.
5. J.
Bicerano and W. N. Lipscomb, "Molecular Orbital Studies of
Nido-Beryllaboranes, B5H10BeX, Where X is
BH4, B5H10, CH3, or
C5H5", Inorganic Chemistry, 18, 1565-1571,
1979.
6. K. R.
Sundberg, J. Bicerano and W. N. Lipscomb, "Variationally
Deorthogonalized Localized Molecular Orbitals", J. Chem.
Phys., 71,
1515-1524, 1979).
7. D.
A. Kleier, J. Bicerano and W. N. Lipscomb, "Stereochemical Rigidity
and Isomerization in B4H4 and
B4F4.
A Theoretical Study", Inorganic Chemistry, 19, 216-218,
1980.
8. J. Bicerano
and W. N. Lipscomb, "Molecular Orbital Studies of Azaboranes Which
Have Nitrogen in a Framework Position", Inorganic
Chemistry, 19,
1825-1827, 1980.
9. J. Bicerano,
H. F. Schaefer III and W. H. Miller, "Structure and Tunneling
Dynamics of Malonaldehyde.
A Theoretical Study", J. Am. Chem. Soc., 105, 2550-2553, 1983.
10. M. E.
Colvin, R. S. Grev, H. F. Schaefer III and J. Bicerano,
"1A1,
3B1, and 1B1
Electronic States of Silylenes. Structures and Vibrational
Frequencies of SiH2, SiHF, and SiF2",
Chemical Physics Letters, 99, 399-405,
1983.
11. J. Bicerano
and S. R. Ovshinsky, "Chemical Bond Approach to the Structures of
Chalcogenide Glasses with Reversible Switching Properties", J.
Non-Crystalline Solids, 74, 75-84, 1985.
12. J. Bicerano
and S. R. Ovshinsky, "Chemical Bond Approach to Glass Structure",
J. Non-Crystalline Solids, 75, 169-175, 1985.
13. M. E. Colvin,
H. F. Schaefer III and J. Bicerano, "SiLiF: The Competition Between
Electronic Effects Favoring Singlet and Triplet Ground States.
A Case Study", J. Chem. Phys., 83, 4581-4584, 1985.
14.
E.
W. Ignacio, H. B. Schlegel and J. Bicerano, "Ab Initio
Calculations on (SiH3)2F+:
Stability in the Gas Phase and Model for Bridging
Fluorine Atom in Ion-Implanted Amorphous Silicon", Chemical
Physics Letters, 127, 367-373,
1986.
15. J. Bicerano
and S. R. Ovshinsky, "Chemical Bonding and the Nature of Glass
Structure", Applied Quantum Chemistry, edited
by V. H. Smith, Jr., H. F. Schaefer III and K. Morokuma, D. Reidel
Publishing Company, Holland, 1986, pp.
325-345.
16. M. E. Colvin,
J. Kobayashi, J. Bicerano and H. F. Schaefer III, "The Infrared
Spectrum of Silaethylene", J. Chem. Phys., 85, 4563-4566, 1986.
17. J. Bicerano,
J. E. Keem and H. B. Schlegel, "Theoretical Studies of Hydrogen
Storage in Binary Ti-Ni, Ti-Cu and Ti-Fe Alloys",
Theoretica Chimica Acta, 70, 265-296,
1986.
18. J. Bicerano
and D. Adler, "Theory of the Structures of Non-Crystalline Solids",
Pure and Applied Chemistry, 59, 101-144, 1987.
19. J.
Bicerano, "119Sn Electric Field Gradients in Model
Clusters of Chalcogenide Glasses", Theoretica Chimica Acta,
71, 385-400,
1987.
20. J. Bicerano
and H. A. Clark, "Intrachain Rotations in Poly(ester
carbonates). 1. Quantum Mechanical Calculations on the Model
Molecules 2,2-Diphenylpropane, Diphenyl Carbonate, and Phenyl
Benzoate", Macromolecules, 21, 585-597,
1988.
21. J. Bicerano
and H. A. Clark, "Intrachain Rotations in Poly(ester
carbonates). 2. Quantum Mechanical Calculations on Large Model
Molecules Fully Representing Each Type of Phenyl Ring Environment",
Macromolecules, 21, 597-603,
1988.
22. J. Bicerano,
"Force Field Calculations on Model Molecules Simulating Isolated
Chain Segments of Poly(vinylidene halide) and Vinylidene
Halide/Vinyl Halide Copolymers", Macromolecules, 22, 1408-1413, 1989.
23. J. Bicerano,
"Semiempirical Calculations Simulating Interacting Pairs of Chain
Segments of Poly(vinylidene halide) and Vinylidene Halide/Vinyl
Halide Copolymers", Macromolecules, 22, 1413-1418,
1989.
24. J.
Bicerano, A. F. Burmester, P. T. DeLassus and R. A. Wessling,
"Utilization of a Synergistic Combination
of Techniques, to Study the Transport of Penetrant
Molecules Through Copolymers of Vinylidene Chloride and Vinyl
Chloride", ACS
Polymer Preprints, 30 (No. 1), 11-12,
1989.
25. J. Bicerano,
A. F. Burmester, P. T. DeLassus and R. A. Wessling, "The Transport
of Penetrant Molecules Through Copolymers of Vinylidene Chloride and
Vinyl Chloride", ACS Polymer Preprints, 30 (No. 2), 25-26,
1989.
26. J. Bicerano,
A. F. Burmester, P. T. DeLassus and R. A. Wessling, "Transport of
Penetrant Molecules Through Copolymers of Vinylidene Chloride and
Vinyl Chloride Barrier Polymers and Barrier Structures", edited
by W. J. Koros, ACS Symposium Series: 423, 126-158 (Chapter 6),
1990.
27. J. Bicerano,
"A Model for Dynamic Relaxations in Amorphous Polymers. 1.
Conceptual Framework, Formal Implementation of Simplest Version, and
Application to Poly(ester carbonates)", J. Polym. Sci., Polym.
Phys. Ed., 29, 1329-1343,
1991.
28. J. Bicerano,
"A Model for Dynamic Relaxations in Amorphous Polymers. 2.
Extensions and Generalizations of Formalism and Applications to
Poly(alkyl acrylates)", J. Polym. Sci., Polym. Phys. Ed.,
29, 1345-1359,
1991.
29.
J. Bicerano,
"Utilization of a Synergistic Combination of Computational
Techniques, to Study the Transport of Penetrant
Molecules Through Plastics", Computational Modeling of
Polymers, edited by J. Bicerano, Marcel Dekker,: New York,
1992, Chapter 7.
30. J. Bicerano
and H. A. Clark, "Dynamic Relaxations in Poly(ester carbonates)", Computational Modeling
of Polymers, edited by J. Bicerano, Marcel Dekker, New
York, 1992, Chapter 11.
31.
J. Bicerano,
"Statistical-Thermodynamic Modeling of the Transport of Penetrants
Through Polymers: Sorption of Carbon Dioxide", Computational
Polymer Science, 2,
177-201, 1992.
32. J. Bicerano,
"A Method to Predict the Properties of Polymers", ANTEC '93
Preprints, Society of Plastics Engineers,
292-295, 1993.
33.
K. Nichols,
J. Solc, M. Barger, D. Pawlowski and J. Bicerano, "The Effect of
Lamellar Injection Molding on Properties of PC/ABS Composites",
ANTEC '94 Preprints, Society of Plastics Engineers,
1433-1437, 1994.
34. J. Bicerano,
A. R. K. Ralston and D. J. Moll, "Modeling of the Transport of
Carbon Dioxide Through Polymers", ANTEC '94
Preprints, Society of Plastics Engineers, 2105-2109,
1994.
35. J. Bicerano,
"Predicting Key Polymer Properties to Reduce Erosion in Irrigated
Soil", Soil Science, 158, 255-266,
1994.
36. R. F. Harris,
J. E. Kinney, M. R. Savina, J. Bicerano and V. L. St. Jeor, "Control
of Morphology in Urea Terminated Poly(1,6-Hexamethyleneurea)
Particles", ACS Polymer Preprints, 36 (No. 1), 383-384,
1995.
37. J. Bicerano
and J. L. Brewbaker, "Micromechanical Design of Elastomers",
ANTEC '95 Preprints, Society of Plastics Engineers,
2542-2546, 1995.
38.
J. Bicerano
and J. L. Brewbaker, "Reinforcement of Polyurethane Elastomers with
Microfibres Having Varying Aspect Ratios", J. Chem. Soc.,
Faraday Transactions, 91, 2507-2513,
1995.
39. R. F. Harris,
J. E. Kinney, M. R. Savina, V. L. St. Jeor, J. Bicerano, V. R.
Durvasula and L. N. Moreno, "Synthesis and Characterization of
Urea-Based Polyureas: 1. Urea-Terminated Poly(1,6-Hexamethyleneurea)
Polyol Dispersions", Polymer, 36, 4275-4285,
1995.
40. R. F. Harris,
J. E. Kinney, M. R. Savina, V. L. St. Jeor, J. Bicerano and B. G.
Landes, "Synthesis and Characterization of Urea-Based Polyureas: 2.
Morphology Control in Urea-Terminated Poly(1,6-Hexamethyleneurea)
Particles", Polymer, 36, 4683-4693,
1995.
41. J. Bicerano
and J. T. Seitz, "Molecular Origins of Toughness in Polymers", Polymer Toughening, edited
by C. B. Arends, Marcel Dekker, New York, 1996, Chapter
1.
42. J. Bicerano,
"Prediction of the Properties of Polymers from Their Structures",
J. Macromol. Sci. - Reviews, C36, 161-196,
1996.
43. J. Bicerano,
"Semicrystalline Polymer Modeling: A Case Study", ANTEC '96
Preprints, Society of Plastics Engineers, 2158-2162,
1996.
44. A. R. K. Ralston, D. D. Denton, J. Bicerano and D. J.
Moll, "Atomistic Modeling of the Interaction
of CO2 with
Bisphenol-A Polycarbonate",
Computational and Theoretical Polymer Science, 6, 15-27,
1996.
45. J. Bicerano,
R. L. Sammler, C. J. Carriere and J. T. Seitz, "Correlation Between
Glass Transition Temperature and Chain Structure for
Randomly-Crosslinked High Polymers", J. Polym. Sci., Polym.
Phys. Ed., 34, 2247-2259,
1996.
46. J. Bicerano
and D. J. Moll, "Atomistic Simulation of the Enthalpy of Solution of
Small Gas Molecules in Polymers and Liquids", Computational and
Theoretical Polymer Science, 6, 117-123,
1996.
47. J. Bicerano,
N. K. Grant, J. T. Seitz and K. Pant, "Microstructural Model for
Prediction of Stress-Strain Curves of Amorphous and
Semicrystalline Elastomers", J. Polym. Sci., Polym. Phys.
Ed., 35, 2715-2739,
1997.
48. J. Bicerano,
"Chain Stiffness of Liquid Crystalline Polyesters. 1. Characteristic Ratio and
Persistence Length", Computational and Theoretical Polymer
Science, 8, 9-13,
1998.
49. J. Bicerano, J. L. Brewbaker and T. A. Chamberlin,
"Chain Stiffness of Liquid Crystalline Polyesters. 2. Radius of Gyration and
Intrinsic Viscosity",
Computational and Theoretical Polymer Science, 8, 15-20,
1998.
50. J. Bicerano,
"Crystallization of Polypropylene and Poly(Ethylene Terephthalate)",
J. Macromol. Sci. - Reviews, C38, 391-479,
1998.
51. G. H.
Fredrickson and J. Bicerano, "Barrier
Properties of Oriented Disk Composites",
J. Chem.
Phys., 110,
2181-2188, 1999.
52. J. Bicerano,
J. F. Douglas and D. A. Brune, "Model for the Viscosity of Particle
Dispersions",
J.
Macromol. Sci. - Reviews, C39, 561-642,
1999.
53. J. M. Garcés,
D. J. Moll, J. Bicerano, R. F. Fibiger and D. G. McLeod, "Polymeric
Nanocomposites for Automotive Applications", Advanced
Materials, 12,
1835-1839, 2000.
54. J. Bicerano,
"Glass Transition", Encyclopedia of Polymer Science and
Technology, third edition. John Wiley & Sons, New York,
published online, 2002. This article was later revised and
updated in 2006.
55. D. A. Brune
and J. Bicerano, "Micromechanics of Nanocomposites: Comparison of
Tensile and Compressive Elastic Moduli, and Prediction of Effects of
Incomplete Exfoliation and Imperfect Alignment on Modulus",
Polymer, 43,
369-387, 2002.
56. J. Moore, M.
Mazor, S. Mudrich, J. Bicerano, A. Patashinski and M. Ratner,
"Modeling Stress-Strain Up to Yield of Glassy Polymers",
ANTEC ’02 Preprints, Society of Plastics Engineers, 1961-1965,
2002.
57. T. D.
Cabelka, J. D. Sweeney, K. M. Balwinski, J. Bicerano
and S. A. Mitchell, "Empirical Modeling of Tablets Containing
Hypromellose", The Dow Chemical Company, November
2003. Click
here to download (file size: 51
KB).
58. J. Bicerano,
S. Balijepalli, A. Doufas, V. Ginzburg, J. Moore, M. Somasi, S.
Somasi, J. Storer and T. Verbrugge, "Polymer Modeling at The
Dow Chemical Company", J. Macromol. Sci. - Polymer Reviews,
44, 53-85, 2004.
59. J.
Bicerano et al.,
"Flexible Polyurethane Foams", Polymeric Foams: Mechanisms and
Materials, edited by S.-T. Lee and N. S.
Ramesh, CRC Press, 2004, Chapter 6.
60. H.
J. M. Gruenbauer, J. Bicerano et al., "Rigid Polyurethane
Foams", Polymeric Foams: Mechanisms and Materials,
edited by S.-T. Lee and N. S. Ramesh, CRC Press, 2004, Chapter
7.
61. E. Pfeiffer, S. Case, J. Lesko, J. Moore, N. E.
Verghese, J. Bicerano and H. Pham, "Lifetime Prediction
of Glass Fiber/DERAKANE 411-350 Composites", ANTEC ’04
Preprints, Society of Plastics Engineers,
2004.
62. I. Graf,
S.
Somasi, J. Bicerano and T. D. Cabelka, "Implementation of the
'Sequential Layer' Controlled-Release Model", The Dow Chemical
Company, June 2004. Click here to download (file size: 179
KB).
63. I. Graf,
S.
Somasi, J. Bicerano and T. D. Cabelka, "Application of the
'Sequential Layer' Model to Drug-Release Profiles", The Dow Chemical
Company, July 2004. Click here to download (file size: 187
KB).