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1

Evolution of the electronic states of polyaniline: an ab initio analysis of the orbital states of PAni synthons

Susan A Jansen, Thanh Duong, Archima Major, Yen Wei, Lawrence T Sein Jr.

Journal:

Synthetic Metals

Year:

1999

Language:

english

File:

PDF, 606 KB

english, 1999

2

Anomalous failure of configuration interaction—Singles (CIS) method in the computation of the electronic states of N,N′-bis(4′-aminophenyl)-1,4-quinonenediimine

Lawrence T. Sein Jr.,, Yen Wei, Thanh Duong, Mark D. Kemmerer, Susan A. Jansen

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 614 KB

english, 1999

3

Synthesis, characterization, and computational study of N,N′-bis (2′,4′-dihydroxyphenyl)-1.4-quinonediimine, a hydroxyl-capped three-ring quinonediimine with sterically hindered substituent on outer rings

Lawrence T. Sein Jr., Justine M. Pagillo

Journal:

Journal of Molecular Structure

Year:

2011

Language:

english

File:

PDF, 1.03 MB

english, 2011

4

Calculation of Hammett Equation parameters for some N,N′-bis (substituted-phenyl)-1,4-quinonediimines by density functional theory

Lawrence T. Sein Jr.

Journal:

Journal of Molecular Structure

Year:

2011

Language:

english

File:

PDF, 595 KB

english, 2011

5

DFT and experimental study of N,N′-bis(3′-carboxy,4′-aminophenyl)-1,4-quinonediimine, a carboxyl substituted aniline trimer

Lawrence T. Sein Jr., Amanda F. Lashua

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 1.15 MB

english, 2010

6

Trimeric anilines as both donors and acceptors: an experimental and computational study

Lawrence T. Sein Jr., Yen Wei, Susan A. Jansen

Journal:

Synthetic Metals

Year:

2000

Language:

english

File:

PDF, 271 KB

english, 2000

7

DFT Study of the Adsorption and Dissociation of Methanol on NiAl (100)

Lawrence T. Sein Jr., Susan A. Jansen

Journal:

Journal of Catalysis

Year:

2000

Language:

english

File:

PDF, 130 KB

english, 2000

8

Novel quinonediimines derived from amino acid-like structures 1: Characterization and DFT computational study: N,N′-bis(5′-benzimidazolyl)-1,4-quinonediimine

Lawrence T. Sein Jr., Alyssa L. Cederberg-Crossley

Journal:

Journal of Molecular Structure

Year:

2011

Language:

english

File:

PDF, 984 KB

english, 2011

9

Ground and excited states of 2-hydroxyaniline trimers: comparison of ΔSCF and CIS

Lawrence T. Sein Jr., Yen Wei, Susan A. Jansen

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 496 KB

english, 2002

10

Linking of amino-capped quinonediimines by divalent transition metal ions: Synthesis, characterization, and comparison to electronic structure calculations

Lawrence T. Sein Jr., Lakeisha L. Packer

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 758 KB

english, 2012

11

Novel quinonediimines derived from amino acid-like structures 2: Characterization and DFT computational study of N,N′-bis(4′-l-phenylalaninyl)-1,4-quinonediimine

Lawrence T. Sein Jr.

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 894 KB

english, 2012

12

Corrosion inhibition by aniline oligomers through charge transfer: a DFT approach

Lawrence T. Sein Jr., Yen Wei, Susan A. Jansen

Journal:

Synthetic Metals

Year:

2004

Language:

english

File:

PDF, 317 KB

english, 2004

13

The effects of substituting oxygen for terminal nitrogen in aniline oligomers 2: A DFT comparison of diamino, dihydroxyl, and monoamino/monohydroxyl terminated aniline trimers

Lawrence T. Sein Jr., Amanda F. Lashua

Journal:

Synthetic Metals

Year:

2009

Language:

english

File:

PDF, 791 KB

english, 2009

14

Theoretical analysis of 2,6-dialkyl-substituted aniline trimers

Lawrence T Sein Jr., Thanh Duong, Yen Wei, Susan A Jansen

Journal:

Synthetic Metals

Year:

2000

Language:

english

File:

PDF, 212 KB

english, 2000

15

Synthesis of iodine-capped aniline trimers and analysis of their electronic spectrum

Lawrence T Sein Jr., Yen Wei, Susan A Jansen

Journal:

Synthetic Metals

Year:

2002

Language:

english

File:

PDF, 167 KB

english, 2002

16

Tight metal binding by humic acids and its role in biomineralization †

Davies, Geoffrey, Fataftah, Amjad, Cherkasskiy, Aleksandr, Ghabbour, Elham A., Radwan, Amal, Jansen, Susan A., Kolla, Santha, Paciolla, Mark D., Sein, Jr., Lawrence T., Buermann, Wolfgang, Balasubrama

Journal:

Journal of the Chemical Society Dalton Transactions

Year:

1997

Language:

english

File:

PDF, 1.06 MB

english, 1997

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