U. Salzner: search on Z-Library

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1

Design of low band gap polymers employing density functional theory?hybrid functionals ameliorate band gap problem

Salzner, U., Lagowski, J. B., Pickup, P. G., Poirier, R. A.

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 224 KB

english, 1997

2

Tuned Range-Separated Hybrids in Density Functional Theory

Baer, Roi, Livshits, Ester, Salzner, Ulrike

Journal:

Annual Review of Physical Chemistry

Year:

2010

Language:

english

File:

PDF, 1.04 MB

english, 2010

3

Bibliography of Sino-Tibetan Languagesby Robert Shafer

Review by: R. Salzner

Journal:

Year:

1960-1961

File:

PDF, 521 KB

1960-1961

4

Spin density encodes intramolecular singlet exciton fission in pentacene dimers

Krishnapriya, K. C., Roy, Palas, Puttaraju, Boregowda, Salzner, Ulrike, Musser, Andrew J., Jain, Manish, Dasgupta, Jyotishman, Patil, Satish

Journal:

Nature Communications

Year:

2019

Language:

english

File:

PDF, 1.49 MB

english, 2019

5

Ab initio investigation of the diels-alder reaction between 2H-phosphole and phosphaethene: A model for phosphole dimerization

Salzner, Ulrike, Bachrach, Steven M., Mulhearn, Debbie C.

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 415 KB

english, 1997

6

Melamin – Bedeutende Industriechemikalie und toxischer Milchzusatz

Jens Salzner, Dieter Sgoff, Hans Joachim Bader

Journal:

Year:

2011

Language:

german

File:

PDF, 465 KB

german, 2011

7

Nachweis und Funktion von Bisphenol A in Thermopapier

Jens Salzner, Arnim Lühken, Hans Joachim Bader

Journal:

Year:

2011

Language:

german

File:

PDF, 516 KB

german, 2011

8

Numerical solution of a partial differential equation system describing chemical kinetics and diffusion in a cell with the aid of compartmentalization

U. Salzner, P. Otto, J. Ladik

Journal:

Journal of Computational Chemistry

Year:

1990

Language:

english

File:

PDF, 767 KB

english, 1990

9

A successful ab initio study of the adiabatic electron affinity of the methyl radical

Ulrike Salzner, Paul von Ragué Schleyer

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 726 KB

english, 1992

10

CH4−nXn: a comparison between the stabilized X  F series and the destabilized X  CN series

Ulrike Salzner, Paul von Raguè Schleyer

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 374 KB

english, 1992

11

Cycloaddition reactions between 2 H-phosphole and phosphaketene: Ab initio examination of [2 + 2] and [4 + 2] pathways

Ulrike Salzner, Steven M. Bachrach

Journal:

Journal of Organometallic Chemistry

Year:

1997

Language:

english

File:

PDF, 694 KB

english, 1997

12

HIV epidemiology and risk behavior promoting HIV transmission in Austrian prisons

J. Pont, H. Strutz, W. Kahl, G. Salzner

Journal:

European Journal of Epidemiology

Year:

1994

Language:

english

File:

PDF, 617 KB

english, 1994

13

Antibody prevalence of parenterally transmitted viruses (HIV-1, HTLV- I, HBV, HCV) in Austrian intravenous drug users

J. Pont, Christine Neuwald, G. Salzner

Journal:

Year:

1991

Language:

english

File:

PDF, 566 KB

english, 1991

14

Pharmakokinetik und Pharmakodynamik von Theophyllin bei multimorbiden geriatrischen Patienten

W. Mühlberg, D. Platt, M. Bauer, U. Salzner

Journal:

Journal of Molecular Medicine

Year:

1987

File:

PDF, 677 KB

1987

15

Electronic Structure Analysis of a New Quinoid Conjugated Polymer

Journal:

Journal of Molecular Modeling

Year:

2000

Language:

english

File:

PDF, 287 KB

english, 2000

16

Does the donor–acceptor concept work for designing synthetic metals?

Ulrike Salzner, Ozan Karaltı, Serdar Durdaği

Journal:

Journal of Molecular Modeling

Year:

2006

Language:

english

File:

PDF, 283 KB

english, 2006

17

Ab initio studies of the geometries and electronic structures of CaF2 and CaCl2

Ulrike Salzner, Paul von Ragué Schleyer

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 826 KB

english, 1990

18

ChemInform Abstract: 1,6-Diphospha-1,5-hexadiene and the Phospha-Cope Rearrangement: An ab initio Investigation

U. SALZNER, S. M. BACHRACH

Journal:

Year:

1996

File:

PDF, 24 KB

1996

19

Topological electron density analysis of organosulfur compounds

Steven M. Bachrach, Ulrike Salzner

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 484 KB

english, 1995

20

Investigation of the effect of donor-acceptor substitution on band gap, band width, and conductivity

Journal:

Synthetic Metals

Year:

2001

File:

PDF, 473 KB

2001

21

Theoretical Analysis of Poly(difluoroacetylene) PDFA

Journal:

Synthetic Metals

Year:

2003

File:

PDF, 482 KB

2003

22

Comparison of geometries and electronic structures of polyacetylene, polyborole, polycyclopentadiene, polypyrrole, polyfuran, polysilole, polyphosphole, polythiophene, polyselenophene and polytellurophene

U. Salzner, J.B. Lagowski, P.G. Pickup, R.A. Poirier

Journal:

Synthetic Metals

Year:

1998

Language:

english

File:

PDF, 1.22 MB

english, 1998

23

Density Functional Theory Investigation of Substituent Effects on Building Blocks of Conducting Polymers

Journal:

Synthetic Metals

Year:

1999

Language:

english

File:

PDF, 196 KB

english, 1999

24

CONCANAVALIN A INDUCED SUPPRESSOR CELLS IN THE PERIPHERAL BLOOD OF MY ASTHENIA GRAVIS PATIENTS

H. J. Salzner, N. Schmiedel, K. F. Druschky, J. Kalies, J. R. Kalden

Journal:

Annals of the New York Academy of Sciences

Year:

1981

Language:

english

File:

PDF, 136 KB

english, 1981

25

Theoretical Investigation of Excited States of Oligothiophenes and of Their Monocations

Salzner, Ulrike

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 447 KB

english, 2007

26

Generalized anomeric effects and hyperconjugation in CH2(OH)2, CH2(SH)2, CH2(SeH)2, and CH2(TeH)2

Salzner, Ulrike, Schleyer, Paul v. R.

Journal:

Journal of the American Chemical Society

Year:

1993

Language:

english

File:

PDF, 2.38 MB

english, 1993

27

Koopmans’ springs to life

Salzner, Ulrike, Baer, Roi

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.07 MB

english, 2009

28

AIP Conference Proceedings [AIP INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009: (ICCMSE 2009) - Rhodes, Greece (29 September–4 October 2009)] - Density functional theory orbital energies for predicting ionization energies

Salzner, Ulrike, Baer, Roi

Year:

2012

Language:

english

File:

PDF, 818 KB

english, 2012

29

Ab Initio Examination of Anomeric Effects in Tetrahydropyrans, 1,3-Dioxanes, and Glucose

Salzner, Ulrike, Schleyer, Paul v. R.

Journal:

Journal of Organic Chemistry

Year:

1994

Language:

english

File:

PDF, 3.15 MB

english, 1994

30

Theoretical Analysis of Substituent Effects on Building Blocks of Conducting Polymers: 3,4‘-Substituted Bithiophenes

Salzner, Ulrike, Kızıltepe, Tanyel

Journal:

Journal of Organic Chemistry

Year:

1999

Language:

english

File:

PDF, 91 KB

english, 1999

31

Quantitatively Correct UV-vis Spectrum of Ferrocene with TDB3LYP

Salzner, Ulrike

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 3.87 MB

english, 2013

32

Cycloaddition Reactions between Cyclopentadiene and Ketene. Ab Initio Examination of [2 + 2] and [4 + 2] Pathways

Salzner, Ulrike, Bachrach, Steven M.

Journal:

Journal of Organic Chemistry

Year:

1996

Language:

english

File:

PDF, 143 KB

english, 1996

33

Improved Prediction of Properties of π-Conjugated Oligomers with Range-Separated Hybrid Density Functionals

Salzner, Ulrike, Aydin, Aykut

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 7.70 MB

english, 2011

34

Theoretical Analysis of Effects of π-Conjugating Substituents on Building Blocks for Conducting Polymers

Salzner, Ulrike, Lagowski, J. B., Pickup, P. G., Poirier, R. A.

Journal:

Journal of Organic Chemistry

Year:

1999

Language:

english

File:

PDF, 97 KB

english, 1999

35

Does the Donor−Acceptor Concept Work for Designing Synthetic Metals? 2. Theoretical Investigation of Copolymers of 4-(Dicyanomethylene)-4 H -cyclopenta[2,1- b :3,4- b ‘]dithiophene and 3,4-(Ethylenedioxy)thiophene

Salzner, Ulrike, Köse, M. Erkan

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 175 KB

english, 2002

36

Conducting Copolymers of Pyridine with Thiophene, N -Methylpyrrole, and Selenophene

Jenkins, Ieuan H., Salzner, Ulrike, Pickup, Peter G.

Journal:

Chemistry of Materials

Year:

1996

Language:

english

File:

PDF, 235 KB

english, 1996

37

Theoretical Analysis of Poly(difluoroacetylene)

Salzner, Ulrike

Journal:

Journal of Physical Chemistry B

Year:

2003

Language:

english

File:

PDF, 126 KB

english, 2003

38

Accurate Method for Obtaining Band Gaps in Conducting Polymers Using a DFT/Hybrid Approach

Salzner, U., Pickup, P. G., Poirier, R. A., Lagowski, J. B.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 153 KB

english, 1998

39

Origin of the Anomeric Effect Revisited. Theoretical Conformation Analysis of 2-Hydroxypiperidine and 2-Hydroxyhexahydropyrimidine

Salzner, Ulrike

Journal:

Journal of Organic Chemistry

Year:

1995

Language:

english

File:

PDF, 2.01 MB

english, 1995

40

Pyramidalized Double Bonds Containing Endoperoxide Linkages: Photooxygenation of Dimethyl cis -3,8-Dihydroheptalene-3,8-dicarboxylate

Saraçoǧlu, Nurullah, Menzek, Abdullah, Sayan, Şafak, Salzner, Ulrike, Balci, Metin

Journal:

Journal of Organic Chemistry

Year:

1999

Language:

english

File:

PDF, 168 KB

english, 1999

41

HIV Epidemiology and Risk Behavior Promoting HIV Transmission in Austrian Prisons

J. Pont, H. Strutz, W. Kahl and G. Salzner

Journal:

European Journal of Epidemiology

Year:

1994

Language:

english

File:

PDF, 995 KB

english, 1994

42

Use of side-chain for rational design of n-type diketopyrrolopyrrole-based conjugated polymers: what did we find out?

Kanimozhi, Catherine, Yaacobi-Gross, Nir, Burnett, Edmund K., Briseno, Alejandro L., Anthopoulos, Thomas D., Salzner, Ulrike, Patil, Satish

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 4.05 MB

english, 2014

43

Theoretical Investigation of Excited States of Oligothiophene Anions

Alkan, Fahri, Salzner, Ulrike

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.18 MB

english, 2008

44

Theoretical Modeling of the Doping Process in Polypyrrole by Calculating UV/Vis Absorption Spectra of Neutral and Charged Oligomers

Okur, Serife, Salzner, Ulrike

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 3.02 MB

english, 2008

45

Nature of Charge Carriers in Long Doped Oligothiophenes: The Effect of Counterions

Zamoshchik, Natalia, Salzner, Ulrike, Bendikov, Michael

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 1.96 MB

english, 2008

46

Theoretical Investigation of Excited States of Large Polyene Cations as Model Systems for Lightly Doped Polyacetylene

Salzner, Ulrike

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 308 KB

english, 2007

47

Ab Initio Studies of the Dimerization of Ketene and Phosphaketene

Salzner, Ulrike, Bachrach, Steven M.

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 1.18 MB

english, 1994

48

Theoretical Modeling of the Doping Process in Polypyrrole by Calculating UV/Vis Absorption Spectra of Neutral and Charged Oligomers

Okur, Serife, Salzner, Ulrike

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 74 KB

english, 2009

49

Effects of Perfluorination on Thiophene and Pyrrole Oligomers

Salzner, Ulrike

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 3.50 MB

english, 2010

50

Investigation of Charge Carriers in Doped Thiophene Oligomers through Theoretical Modeling of their UV/Vis Spectra

Salzner, Ulrike

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.45 MB

english, 2008