2. "Dynamic Paper Constructions for Easier Visualizations of Molecular Symmetry" Sein, L.T.*J. Chem. Ed., 2010, 87(8), 827-828. Abstract
1. "Use of Punnett Squares to Facilitate Students' Understanding of Isotopic Distributions in Mass Spectrometry" Sein, L.T.* J. Chem. Ed., 2006, 83(2), 228. Abstract
Conducting polymers are essentially plastics that have the ability (paradoxically) to conduct electricity like metals. They are also useful in preventing the corrosion of metal surfaces. An important result of our research was to show that property #1 (the ability to conduct electricity), actually has little or nothing to do with property #2 (the ability to prevent corrosion).
21. “Novel quinonediimines derived from amino acid-like structures 1: Characterization and DFT computational study: N,N´- bis (5´-benzimidazolyl)-1,4-quinonediimine” Sein, L.T.* ; Cederberg-Crossley, A.L.J. Mol. Struct., 2011, 1004, 319-328.
20. "Calculation of Hammett Equation parameters for some N,N'-bis (substituted-phenyl)-1,4-quinonediimines by Density Functional Theory" Sein, L.T.* J. Mol. Struct., 2011, 1000, 109-119. Abstract
19. "Synthesis, characterization, and computational study of N, N'-bis (2',4'-dihydroxy-phenyl)-1.4-quinonediimine, a hydroxyl-capped quinonediimine with sterically hindered substituent on outer rings" Sein, L.T.*; Pagillo, J.M. J. Mol. Struct., 2011, 985, 299-306.Abstract
18. "DFT and experimental study of N, N'-bis (3'-carboxy,4'-aminophenyl)-1.4-quinonediimine, a carboxyl substituted aniline trimer" Sein, L.T.*; Lashua, A.F. J. Mol. Struct., 2010, 977, 220-229. Abstract
17. "The effects of substituting oxygen for terminal nitrogen in aniline oligomers 2: a DFT comparison of diamino, dihydroxyl, and monoamino/monohydroxyl terminated aniline trimers" Sein, L.T.*; Lashua, A.F. Syn. Met., 2009, 159, 1183-1190. Abstract
16. "The effect of substituting oxygen for terminal nitrogen in aniline oligomers: a DFT study" Sein, L.T.* J. Phys. Chem. A, 2008, 112, 2598.Abstract
15. "Corrosion inhibition by aniline oligomers through charge transfer: A DFT approach" Sein, L.T.*; Wei, Y.; Jansen, S.A. Synth. Met. 2004, 143(1), 1-12. Abstract
14. "Synthesis of iodine-capped aniline trimers and analysis of their electronic spectra" Sein, L.T.* ; Wei, Y.; and Jansen, S.A. Synth. Met., 2002, 26(1), 117 {Cover article}. Abstract
13. "Ground and excited states of 2-hydroxyaniline trimers: Comparison of ΔSCF and CIS" Sein, L.T.* ; Wei, Y.; and Jansen, S.A. J. Mol. Struct. (Theochem) 2002, 577, 35. Abstract
12. "The role of adsorption of aniline trimers on the corrosion inhibition process: A ZINDO/1 study" Sein, L.T.* ; Wei, Y.; and Jansen, S.A. Comp. Theor. Polym. Sci. 2001, 11(2), 63. Abstract
11. "Halogen-capped aniline trimers: Away from the polyaniline paradigm by isosteric replacement of amino groups: A Theoretical Study" Sein, L.T.* ; Wei, Y.; and Jansen, S.A. J. Phys. Chem. A, 2000, 104, 11371. Abstract
10. "Corrosion protection properties of coatings of the aniline oligomers and their epoxy resin-cured derivatives based on salt spray and cyclic testing" Wei, Y.; Jamasbi, H.; Li, S.; Cheng, S.; Jansen, S.A.; and Sein, L.T. Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.), 2000, Vol. 41(2), pp. 1778-1779.
9. "Adhesion properties of aniline oligomers and their epoxy resin-cured derivatives over cold rolled steel" Wei, Y.; Jamasbi, H.; Li, S.; Cheng,S.; Jansen, S.A.; and Sein, L.T. Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.), 2000, Vol. 41(2), pp. 1761-1762.
8. "Assessment of electronic factors necessary for corrosion inhibition: An analysis of substituted aniline oligomers" Jansen, S.A.; Sein, L.T. ; Wei, Y.; and Duong, T. Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.), 2000, Vol. 41(2), pp. 1750-1751.
7. "Corrosion inhibition by aniline trimers via charge transfer: A DFT approach" Sein, L.T.* ; Wei, Y.; and Jansen, S.A. Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.), 2000, Vol. 41(2), pp. 1741-1742.
6. "Theoretical analysis of 2,6-dialkyl substituted aniline trimers" Sein, L.T.* ; Duong, T.; Wei, Y. ; and Jansen, S.A. Synth. Met. 2000, 113, 145. Abstract
5. "Anomalous failure of configuration interaction - Singles (CIS) method in the computation of the electronic states of N,N'-bis(4'-aminophenyl)-1,4-quinonediimine" Sein, L.T.; Wei, Y; Duong, T.; Kemmerer, M.D.; and Jansen, S.A. Int. J. Quant. Chem. 1999, 75, 623.
4. "Trimeric anilines as both donors and acceptors: An experimental and computational Study" Sein, L.T.* ; Wei, Y.; and Jansen, S.A. Synth. Met 1999, 108, 101. Abstract
3. "Evolution of the electronic states of polyaniline: An ab initio analysis of the orbital states of PAni synthons." Jansen, S.A.; Duong, T.; Major, A.; Wei, Y.; and Sein, L.T.* Synth. Met. 1999, 105, 107. Abstract
2. "Effect of dopants on the corrosion-inhibition effect of aniline trimer / dopant complexes." Sein, L.T. ; Kolla, S.; Pasupaleti, P.; Patel, K.; Jansen, S.A.; and Wei, Y. Polymer Preprints (Am. Chem. Soc., Div. Polym. Chem.) 1998, Vol. 39(1), 117.
1. "Polyanilines as alternative anti-corrosion materials: a molecular level model of the corrosion process." Sein, L.T. ; Levarity, L.; Jansen, S.A.; and Wei, Y. in Electrical and Optical Polymers. Wnek, G.; Trantolo, D.J.; Cooper, T.M.; Gresser, J.D. (eds). Marcel Dekker, New York: 1998, 1.
Catalysis is the ability to "speed-up" chemical reactions. We have theoretically examined the mechanisms for reactivity on aluminum and aluminide surfaces. In paper #2 below, we actually synthesized a heteropolyacid cluster, embedded it into sol-gel (silica), and tested its catalytic utility compared to a cluster that wasn't embedded into silica. Embedding is useful, because it "spreads" the catalyst out, increasing its surface area.
3. "DFT study of the adsorption and dissociation of methanol on NiAl(100)" Sein, L.T.* and Jansen, S.A. J. Catal. 2000, 196, 207. Abstract
2. "Heteropoly acids supported on sol-gel matrices and their catalytic activity and selectivity" Grandstaff, D.E.; Paciolla, M.D.; Sein, L.T. ; Jacob, R.; Narielwala, K.; John, S.; Patel, N.; Kashani, M.; Doll, K .; Wei, Y.; and Jansen, S.A. Proceedings of the Material Research Society , Mater. Res. Soc. Symp. Proc., "Advanced Catalytic Materials", edited by P.W. Lednor, D.A. Nagaki, L.T. Thompson, 1999, Vol. 549, pp. 249-254.
1. "Adsorption and dissociation of methanol on aluminum (100): Theoretical analysis of reaction mechanism." Sein, L.T.* ; Jansen, S.A. J. Phys. Chem. B 1998, 102, 2415. Abstract
Humic acid is a biological product found throughout the natural environment. Fierce arguments are underway as to its exact composition and structure. The material is used industrially for agriculture, because humic acid "holds onto" metals. Therefore, metal can be "loaded" into the humic acid, put into the ground, and the metals will help enrich the soil and improve crop yields. Humic acid is also used to decontaminate lakes and rivers poisoned with chlorinated hydrocarbons.
8. "Conformational modeling of a new building block of humic acid: Approaches to the lowest energy conformer." Sein, L.T. ; Varnum, J.M.; and Jansen, S.A. Environ. Sci. Technol.1999, 33, 546. {Cover article} Abstract
7. "Physical insights in humic acid research." Kolla, S.; Sein, L.T. ; Paciolla, M.D.; Jansen, S.A. in Recent Research Advances in Physical Chemistry, Research Trends, Trivandrum, India: 1998, Vol. 2, 742. Abstract
6. "Generation of free radicals by humic acid : Implications for biological activity." Paciolla, M.D.; Kolla, S.; Sein, L.T. ; Varnum, J.M.; Malfara, D.L.; Davies, G.; Jansen, S.A. in Humic Substances: Structures, Properties and Uses. Davies, G.; Ghabbour, E.A. (eds.) Royal Society of Chemistry: Cambridge: 1998, 203. Abstract
5. "Humic acid as a reactive substrate for alkylation." Kolla, S.; Sein, L.T. ; Paciolla, M.D.; Moyer, J.; Walia, D.; Heaton, H. Jansen, S.A. in Humic Substances: Structures, Properties and Uses. Davies, G.; Ghabbour, E.A. (eds.) Royal Society of Chemistry: Cambridge: 1998, 215.
4. "Metal uptake by metal-free humic acid." Jansen, S.A.; Varnum, J.M.; Kolla, S.; Paciolla, M.D.; Sein, L.T. ; Nwabara, S.; Ghabbour, E.A.; Fataftah, A.; Davies, G. in The Role of Humic Substances in the Ecosystems and in Environmental Protection. Drozd, J.; Gonet, S.S.; Senesi, N.; Weber, J . (eds.) Polish Society of Humic Substances: Wroclaw, Poland: 1997, 741. Abstract
3. "Distribution of polysaccharides in humic acid derived from plant sources." Jansen, S.A.; Kolla, S.; Sein, L.T. ; Varnum, J.M.; Paciolla, M.D.; Radwan, A.; Ghabbour, E.A.; Davies, G. in The Role of Humic Substances in the Ecosystems and in Environmental Protection. Drozd, J.; Gonet, S.S.; Senesi, N.; Weber, J. (eds.) Polish Society of Humic Substances: Wroclaw, Poland: 1997, 157. Abstract
2. "Conformational modeling of a proposed building block of humic acid : searching chirally undefined conformational space." Sein, L.T. ; Kolla, S.; Davies, G.; Ghabbour, E.A.; Varnum, J.M.; Jansen, S.A. in The Role of Humic Substances in the Ecosystems and in Environmental Protection. Drozd, J.; Gonet, S.S.; Senesi, N.; Weber, J. (eds.) Polish Society of Humic Substances: Wroclaw, Poland: 1997, 73. Abstract
1. "Tight metal binding by humic acid and its role in Biomineralization". Davies, G.; Fataftah, A.; Cherkasskiy, A.; Ghabbour, E.A.; Radwan, A.; Jansen, S.A.; Kolla, S.; Paciolla, M.D.; Sein, L.T. ; Buermann, W.; Balasubramanian, M.; Budnick, J.; Xing, B. J. Chem. Soc. Dalton Trans., 1997, 4047.
34. “Novel quinonediimines derived from amino acid-like structures 1: Characterization and DFT computational study: N,N´- bis (5´-benzimidazolyl)-1,4-quinonediimine” Sein, L.T.* ; Cederberg, A.L.J. Mol. Struct., 2011, 1004, 319-328.
33. "Calculation of Hammett Equation parameters for some N,N'-bis (substituted-phenyl)-1,4-quinonediimines by Density Functional Theory" Sein, L.T.* J. Mol. Struct., 2011, 1000, 109-119.Abstract
32. "Synthesis, characterization, and computational study of N, N'-bis (2',4'-dihydroxy-phenyl)-1.4-quinonediimine, a hydroxyl-capped quinonediimine with sterically hindered substituent on outer rings" Sein, L.T.*; Pagillo, J.M.J. Mol. Struct., 2011, 985, 299-306. Abstract
31. "DFT and experimental study of N, N'-bis (3'-carboxy,4'-aminophenyl)-1.4-quinonediimine, a carboxyl substituted aniline trimer" Sein, L.T.*; Lashua, A.F. J. Mol. Struct., 2010, 977, 220-229. Abstract
30. "Dynamic Paper Constructions for Easier Visualizations of Molecular Symmetry" Sein, L.T.* J. Chem. Ed., 2010, 87(8), 827-828. Abstract
29. "The effects of substituting oxygen for terminal nitrogen in aniline oligomers 2: a DFT comparison of diamino, dihydroxyl, and monoamino/monohydroxyl terminated aniline trimers" Sein, L.T.*; Lashua, A.F. Syn. Met., 2009, 159, 1183-1190. Abstract
28. "The effect of substituting oxygen for terminal nitrigen in aniline oligomers: a DFT study" Sein, L.T.* J. Phys. Chem. A, 2008, 112, 2598.Abstract
27. "Use of Punnett Squares to Facilitate Students' Understanding of Isotopic Distributions in Mass Spectrometry" Sein, L.T.* J. Chem. Ed., 2006, 83(2), 228.Abstract
26. "Corrosion inhibition by aniline oligomers through charge transfer: A DFT approach" Sein, L.T.*; Wei, Y.; Jansen, S.A. Synth. Met. 2004, 143(1), 1-12. Abstract
25. "Synthesis of iodine-capped aniline trimers and analysis of their electronic spectra " Sein, L.T.* ; Wei, Y. .; and Jansen, S.A. Synth. Met., 2002, 26(1) {Cover article}. Abstract
24. "Ground and excited states of 2-hydroxyaniline trimers: Comparison of ΔSCF and CIS" Sein, L.T.* ; Wei, Y..; and Jansen, S.A. J. Mol. Struct. (Theochem) 2002, 577, 35. Abstract
23. "The role of adsorption of aniline trimers on the corrosion inhibition process: A ZINDO/1 study" Sein, L.T.* ; Wei, Y. , and Jansen, S.A. Comp. Theor. Polym. Sci. 2001, 11(2), 63.
22. "Halogen-capped aniline trimers: Away from the polyaniline paradigm by isosteric replacement of amino groups: A theoretical study" Sein, L.T.* ; Wei, Y. ; and Jansen, S.A. J. Phys. Chem, 2000, 104, 11371. Abstract
21. "DFT study of the adsorption and dissociation of methanol on NiAl(100)" Sein, L.T.* and Jansen, S.A. J. Catal. 2000, 196, 207. Abstract
20. "Corrosion protection properties of coatings of the aniline oligomers and their epoxy resin-cured derivatives based on salt spray and cyclic testing" Wei, Y.; Jamasbi, H.; Li, S.; Cheng, S.; Jansen, S.A.; and Sein, L.T. Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.), 2000, Vol. 41(2), pp. 1778-1779.
19. "Adhesion properties of aniline oligomers and their epoxy resin-cured derivatives over cold rolled steel" Wei, Y.; Jamasbi, H.; Li, S.; Cheng, S.; Jansen, S.A.; and Sein, L.T. Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.), 2000, Vol. 41(2), pp. 1761-1762.
18. "Assessment of electronic factors necessary for corrosion inhibition: An analysis of substituted aniline oligomers" Jansen, S.A.; Sein, L.T. ; Wei, Y.; and Duong, T. Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.), 2000, Vol. 41(2), pp. 1750-1751.
17. "Corrosion inhibition by aniline trimers via charge transfer: A DFT approach" Sein, L.T.* ; Wei, Y.; and Jansen, S.A. Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.), 2000, Vol. 41(2), pp. 1741-1742.
16. "Theoretical analysis of 2,6-dialkyl substituted aniline trimers" Sein, L.T.* ; Duong, T.; Wei, Y.; and Jansen, S.A. Synth. Met. 2000, 113, 145. Abstract
15. "Anomalous failure of configuration interaction - Singles (CIS) method in the computation of the electronic states of N,N'-bis(4'-aminophenyl)-1,4-quinonediimine" Sein, L.T.; Wei, Y; Duong, T.; Kemmerer, M.D.; and Jansen, S.A. Int. J. Quant. Chem. 1999, 75, 623.
14. "Trimeric anilines as both donors and acceptors: An experimental and computational study" Sein, L.T.* ; Wei, Y.; and Jansen, S.A. Synth. Met 1999, 108, 101. Abstract
13. "Evolution of the electronic states of polyaniline: An ab initio analysis of the orbital states of PAni synthons." Jansen, S.A.*; Duong, T.; Major, A.; Wei, Y.; and Sein, L.T.* Synth. Met. 1999, 105, 107. Abstract
12. " Heteropoly acids supported on sol-gel matrices and their catalytic activity and selectivity" Grandstaff, D.E.; Paciolla, M.D.; Sein, L.T. ; Jacob, R.; Narielwala, K.; John, S.; Patel, N.; Kashani, M.; Doll, K.; Wei, Y.; and Jansen, S.A. Proceedings of the Material Research Society , Mater. Res. Soc. Symp. Proc., "Advanced Catalytic Materials", edited by P.W. Lednor, D.A. Nagaki, L.T. Thompson, 1999, Vol. 549, pp. 249-254.
11. "Conformational modeling of a new building block of humic acid: Approaches to the lowest energy conformer." Sein, L.T. ; Varnum, J.M.; and Jansen, S.A. Environ. Sci. Technol 1999, 33, 546. {Cover article} Abstract
10. "Generation of free radicals by humic acid: Implications for biological activity." Paciolla, M.D.; Kolla, S.; Sein, L.T. ; Varnum, J.M.; Malfara, D.L.; Davies, G.; and Jansen, S.A. in Humic Substances: Structures, Properties and Uses. Davies, G.; Ghabbour, E.A. (eds.) Royal Society of Chemistry: Cambridge: 1998, 203. Abstract
9. "Humic acid as a reactive substrate for alkylation." Kolla, S.; Sein, L.T. ; Paciolla, M.D.; Moyer, J.; Walia, D.; Heaton, H.; and Jansen, S.A. in Humic Substances: Structures, Properties and Uses. Davies, G.; Ghabbour, E.A. (eds.) Royal Society of Chemistry: Cambridge: 1998, 215.
8. "Effect of dopants on the corrosion-inhibition effect of aniline trimer / dopant complexes." Sein, L.T. ; Kolla, S.; Pasupaleti, P.; Patel, K.; Jansen, S.A.; and Wei, Y. Polymer Preprints (Am. Chem. Soc., Div. Polym. Chem.) 1998, Vol. 39(1), 117.
7. "Physical insights in humic acid research." Kolla, S.; Sein, L.T. ; Paciolla, M.D.; and Jansen, S.A. in Recent Research Advances in Physical Chemistry, Research Trends, Trivandrum, India: 1998, Vol. 2, 742. Abstract
6. "Polyanilines as alternative anti-corrosion materials: a molecular level model of the corrosion process." Sein, L.T. ; Levarity, L.; Jansen, S.A.; and Wei, Y. in Electrical and Optical Polymers. Wnek, G.; Trantolo, D.J.; Cooper, T.M.; Gresser, J.D. (eds). Marcel Dekker, New York: 1998, 1.
5. "Adsorption and dissociation of methanol on aluminum (100): Theoretical analysis of reaction mechanism." Sein, L.T.* and Jansen, S.A. J. Phys. Chem. B 1998, 102, 2415. Abstract
4. "Metal uptake by metal-free humic acid." Jansen, S.A.; Varnum, J.M.; Kolla, S.; Paciolla, M.D.; Sein, L.T. ; Nwabara, S.; Ghabbour, E.A.; Fataftah, A.; and Davies, G. in The Role of Humic Substances in the Ecosystems and in Environmental Protection. Drozd, J.; Gonet, S.S.; Senesi, N.; Weber, J . (eds.) Polish Society of Humic Substances: Wroclaw, Poland: 1997, 741. Abstract
3. "Distribution of polysaccharides in humic acid derived from plant sources." Jansen, S.A.; Kolla, S.; Sein, L.T. ; Varnum, J.M.; Paciolla, M.D.; Radwan, A.; Ghabbour, E.A.; and Davies, G. in The Role of Humic Substances in the Ecosystems and in Environmental Protection. Drozd, J.; Gonet, S.S.; Senesi, N.; Weber, J. (eds.) Polish Society of Humic Substances: Wroclaw, Poland: 1997, 157. Abstract
2. "Conformational modeling of a proposed building block of humic acid : searching chirally undefined conformational space." Sein, L.T. ; Kolla, S.; Davies, G.; Ghabbour, E.A.; Varnum, J.M.; and Jansen, S.A. in The Role of Humic Substances in the Ecosystems and in Environmental Protection. Drozd, J.; Gonet, S.S.; Senesi, N.; Weber, J. (eds.) Polish Society of Humic Substances: Wroclaw, Poland: 1997, 73. Abstract
1. "Tight metal binding by humic acid and its role in Biomineralization." Davies, G.; Fataftah, A.; Cherkasskiy, A.; Ghabbour, E.A.; Radwan, A.; Jansen, S.A.; Kolla, S.; Paciolla, M.D.; Sein, L.T. ; Buermann, W.; Balasubramanian, M.; Budnick, J.; and Xing, B. J. Chem. Soc. Dalton Trans. 1997, 4047.
* = corresponding author.
© 2003-2012 by Lawrence T. Sein. All rights reserved.
Send questions to:lseinjr@hotmail.com