Publications of Salzner, U.
2011
| , Effects of Perfluorination on Thiophene and Pyrrole Oligomers (2011), in: J of Physical Chemistry, 114(5397-5405) |
| , Modeling Photoelectron Spectra of Conjugated Oligomers with Time-Dependent Density Functional Theory (2011), in: J of Physical Chemistry, 114(10997-11007) |
2010
| , and , Tuned Range-Separated Hybrids in Density Functional Theory (2010), in: Ann. Rev. Phys. Chem., 61(85-109) |
2009
| , Investigation of Charge Carriers in Doped Thiophene Oligomers through Theoretical Modeling of their UV/V is Spectra (2009), in: J of Physical Chemistry, 112(5458-5466) |
| and , Koopmans' springs to life (2009), in: J of Chemical Physics, 131(231101-1--4) |
[DOI] |
| , and , Nature of Charge Carriers in Long Doped Oligothiophenes: The Effect of Counterions (2009), in: J of Physical Chemistry C, 112(8408-8418) |
| and , Theoretical Investigation of Excited States of Oligothiophene Anions (2009), in: J of Physical Chemistry A, 112(6053-6058) |
| and , Theoretical Modeling of the Doping Process in Polypyrrole by Calculating UV/Vis Absorption Spectra of Neutral and Charged Oligomers (2009), in: J of Physical Chemistry A, 112(11842-11853) |
2008
| , Theoretical Investigation of Excited States of Oligothiophenes and of their monocations (2008), in: J of Chemical Theory and Computation, 3(1143-1157) |
2007
| , Theoretical Investigation of Excited States of Large Polyene Cations as Model Systems for Lightly Doped Polyacetylene (2007), in: J of Chemical Theory and Computation, 3(219-231) |
2006
| , and , Does the Donor-Acceptor Concept Work for Designing Synthetic Metals? 2. Theoretical Investigation of Copolymers Between Quinoid Acceptors and Aromatic Donors (2006), in: J Molecular Modeling, 12(687-701) |
2005
| , Theoretical Design of Conjugated Organic Polymers (2005), in: Current Organic Chemistry, 8(569-590) |
2004
| , Theoretical Analysis of Poly(difluoroacetylene) (2004), in: J of Physical Chemistry B, 107(1129-1134) |
| , Theoretical Analysis of Poly(difluoroacetylene) PDFA (2004), in: Synthetic Metals, 135(311-312) |
2003
| , Does the Donor-Acceptor Concept Work for Designing Synthetic Metals? 1. Theoretical Investigation of Poly(3-Cyano-3'-Hydroxybithiophene (2003), in: J of Physical Chemistry A, 106(9214-9220) |
| and , Does the Donor-Acceptor Concept Work for Designing Synthetic Metals? 2. Theoretical Investigation of Copolymers of 4-Dicyanomethylene-4H-Cyclopenta[2,1-b:3,4-b]Dithiophene and 3,4-Ethylenedioxythiophene (2003), in: J of Physical Chemistry A, 106(9221-9226) |
2002
| , Investigation of the Effect of Donor-Acceptor Substitution on Band Gap, Band Width, and Conductivity (2002), in: Synthetic Metals, 119(215-216) |
2001
| , Electronic structure analysis of a new quinoid conjugated polymer (2001), in: J Molecular Modeling, 6(195-204) |
2000
| , Density functional theory investigation of substituent effects on building blocks of conducting polymers (2000), in: Synthetic Metals, 101(482-483) |
| , , , and , Pyramidalized double bonds containing endoperoxide linkages: Photooxygenation of dimethyl (2000), in: J of Organic Chemistry, 64(6670-6676) |
| , , and , Theoretical analysis of effects of pi-conjugating substituents on building blocks for conducting polymers (2000), in: J of Organic Chemistry, 64(7419-7425) |
1999
| , , and , An accurate method for obtaining band gaps in conducting polymers using a DFT/hybrid approach (1999), in: J of Physical Chemistry, 102(2572-2578) |
| , , and , Comparison of electronic structures of polycylopentadiene, polypyrrole, polyfuran, polysilole, polyphosphole, polyyhiophene, polyselenophene (1999), in: Synthetic Metals, 96(177-189) |
| and , Theoretical analysis of substituent effects on building blocks of conducting polymers (1999), in: J of Organic Chemistry, 64(764-769) |