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1

Scytonin, a novel cyanobacterial photoprotective pigment: calculations of Raman spectroscopic biosignatures

Varnali, Tereza, Edwards, Howell G. M.

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 291 KB

english, 2014

2

2,3-Bis(1-methylimidazol-2-yl)quinoxaline (bmiq), a new ligand with decoupled electron transfer and metal coordination sites: the very different redox behaviour of isoelectronic complexes with [PtCl2] and [AuCl2]+

Bulak, Ece, Varnali, Tereza, Schwederski, Brigitte, Sarkar, Biprajit, Hartenbach, Ingo, Fiedler, Jan, Kaim, Wolfgang

Journal:

Dalton Transactions

Year:

2011

Language:

english

File:

PDF, 673 KB

english, 2011

3

Systematic analysis of substituent effects. II. Charges and energies of atoms in fluorochloroethanes

Jerzy Cioslowski, Tereza Varnali

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 302 KB

english, 1999

4

MM3 calculations on sulfoxides

Norman L. Allinger, Yi Fan, Tereza Varnali

Journal:

Journal of Physical Organic Chemistry

Year:

1996

Language:

english

File:

PDF, 514 KB

english, 1996

5

Conformational analysis of 2-cyano-1,1-dihydroxyethane in solution

Viktorya Aviyente, Tereza Varnali, Manuel F. Ruiz-López

Journal:

Journal of Physical Organic Chemistry

Year:

1996

Language:

english

File:

PDF, 536 KB

english, 1996

6

AB INITIO STUDY ON THE CONFORMATIONAL BEHAVIOUR OF ETHANE-1,1-DIOL and ETHANE-1,1,2-TRIOL IN SOLUTION

Safiye Sağ Erdem, Tereza Varnali, Viktorya Aviyente

Journal:

Journal of Physical Organic Chemistry

Year:

1997

Language:

english

File:

PDF, 108 KB

english, 1997

7

Modeling chromium sulfate complexes in relation to chromium tannage in leather technology: a computational study

Sinan Imer, Tereza Varnali

Journal:

Applied Organometallic Chemistry

Year:

2000

Language:

english

File:

PDF, 126 KB

english, 2000

8

Computational chemistry using the P.C., by Donald W. Rogers, VCH Publishers, Inc., New York, 1990. pp. 224. Price: $55.00

Journal:

Journal of Computational Chemistry

Year:

1992

Language:

english

File:

PDF, 199 KB

english, 1992

9

Protonated aldehyde clusters: a semiempirical approach

Viktorya Aviyente, Tereza Varnali

Journal:

Journal of Molecular Structure

Year:

1993

Language:

english

File:

PDF, 256 KB

english, 1993

10

Modeling glycosaminoglycans—hyaluronan, chondroitin, chondroitin sulfate A, chondroitin sulfate C and keratan sulfate

Halil Bayraktar, Evren Akal, Orkan Sarper, Tereza Varnali

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 269 KB

english, 2004

11

Acrylamide and glycidamide adducts of Guanine

N. Zeynep Atay, Dilek Çalgan, Emine Özakat, Tereza Varnali

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 70 KB

english, 2005

12

A DFT based assessment of coordination modes of the bis(1-methyl-2-imidazolyl)glyoxal ligand in mononuclear and dinuclear complexes

Orkan Sarper, Ece Bulak, Wolfgang Kaim, Tereza Varnali

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 837 KB

english, 2006

13

Comparison of Ni, Pd, Pt complexes of N,N-bis(dialkylphosphinomethyl)aminomethane: A DFT study

Ahmet Koseoğlu, Elfi Kraka, Osman Serindağ, Tereza Varnali

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 242 KB

english, 2009

14

Conformational analysis of trisaccharides. An MM3 study

Tereza Varnali, Dilek Tözüm-Çalgan

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 418 KB

english, 1994

15

Associated species of dimethylsulfoxide: Semiempirical modeling

Journal:

Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 451 KB

english, 1996

16

A PM6 study ofRhodopseudomonas Acidophilalight harvesting center II B800 bacteriochlorophylls in representative protein environment

Sina Türeli, Tereza Varnalı

Journal:

Journal of Molecular Modeling

Year:

2011

Language:

english

File:

PDF, 888 KB

english, 2011

17

Tris(triphenylphosphine)rhodium cyano and triphenylcyanoborate complexes: Structures and a DFT study

Manuel A. Fernandes, Viorel Cîrcu, Rosemarie Weber, Tereza Varnali, Laurence Carlton

Journal:

Journal of Chemical Crystallography

Year:

2002

Language:

english

File:

PDF, 141 KB

english, 2002

18

Influence of a methyl substituent on the Raman spectrum of but-3-enyl methyl ether

Richard D. Bowen, Howell G.M. Edwards, Tereza Varnali

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2012

Language:

english

File:

PDF, 427 KB

english, 2012

19

Conformational analysis of trisaccharides. An MM3 study

Tereza Varnali, Dilek Tözüm-Çalgan

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 437 KB

english, 1994

20

Geometrical consequences of resonance-assisted hydrogen bonding in 2-nitrovinyl alcohol and indication of a slight attractive O…H interaction in 2-nitroethanol. An ab initio molecular orbital investigation

Tereza Varnali, István Hargittai

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 294 KB

english, 1996

21

Conformational analysis of 2-substituted-l,3-diheteroanes. A theoretical study of solvent effects

Cenk Selçuki, Viktorya Aviyente, Tereza Varnali, Ramon Lopez Rodriguez

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 535 KB

english, 1997

22

Potential energy surface describing spindle rotation in a molecular turnstile

Sumru Göyenç İpek, Tereza Varnali

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1999

Language:

english

File:

PDF, 206 KB

english, 1999

23

Conformational equilibria of 5-substituted-1,3-dithianes. Study of solvent effects

Göksin Apaydin, Viktorya Aviyente, Tereza Varnali, Manuel F. Ruiz-López

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 477 KB

english, 1997

24

A semiempirical study of protonated ammonia—triethylamine clusters

Viktorya Aviyente, Tereza Varnali

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 571 KB

english, 1994

25

Quantitative structure activity relationship (QSAR) of competitive N-methyl-D-aspartate (NMDA) antagonists

KORKUT, ANIL, VARNALI, TEREZA

Journal:

Molecular Physics

Year:

2003

Language:

english

File:

PDF, 578 KB

english, 2003

26

A potential new biosignature of life in iron-rich extreme environments: An iron (III) complex of scytonemin and proposal for its identification using Raman spectroscopy

Varnali, Tereza, Edwards, Howell G.M.

Journal:

Planetary and Space Science

Year:

2013

Language:

english

File:

PDF, 426 KB

english, 2013

27

Separation of Metal Binding and Electron Transfer Sites as a Strategy To Stabilize the Ligand-Reduced and Metal-Oxidized Form of [Mo(CO) 4 L]

Bulak, Ece, Varnali, Tereza, Schwederski, Brigitte, Bubrin, Denis, Fiedler, Jan, Kaim, Wolfgang

Journal:

Organometallics

Year:

2011

Language:

english

File:

PDF, 1.35 MB

english, 2011

28

Theoretical Study of Novel Complexed Structures for Methoxy Derivatives of Scytonemin: Potential Biomarkers in Iron-Rich Stressed Environments

Varnali, Tereza, Edwards, Howell G.M.

Journal:

Year:

2013

Language:

english

File:

PDF, 300 KB

english, 2013

29

Reduced and oxidised scytonemin: Theoretical protocol for Raman spectroscopic identification of potential key biomolecules for astrobiology

Varnali, Tereza, Edwards, Howell G.M.

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

Language:

english

File:

PDF, 677 KB

english, 2014

30

Reversibly Reducible cis -Dichloroplatinum(II) and cis -Dichloropalladium(II) Complexes of Bis(1-methylimidazol-2-yl)glyoxal

Bulak, Ece, Leboschka, Markus, Schwederski, Brigitte, Sarper, Orkan, Varnali, Tereza, Fiedler, Jan, Lissner, Falk, Schleid, Thomas, Kaim, Wolfgang

Journal:

Inorganic Chemistry

Year:

2007

Language:

english

File:

PDF, 174 KB

english, 2007

31

Iron-Scytonemin Complexes: DFT Calculations on New UV Protectants for Terrestrial Cyanobacteria and Astrobiological Implications

Varnali, Tereza, Edwards, Howell G.M.

Journal:

Year:

2010

Language:

english

File:

PDF, 346 KB

english, 2010

32

Scytonemin: molecular structural studies of a key extremophilic biomarker for astrobiology

Varnali, Tereza, Edwards, Howell G.M., Hargreaves, Michael D.

Journal:

International Journal of Astrobiology

Year:

2009

Language:

english

File:

PDF, 273 KB

english, 2009

33

Systematic Analysis of Substituent Effects: 1. Geminal and Vicinal Interactions in Fluorochloroethanes

Cioslowski, Jerzy, Varnali, Tereza

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 602 KB

english, 1996

34

Structures, Energetics, and Reactions of Proton-Bound Hydrazine Clusters

Feng, Wan Yong, Aviyente, Viktorya, Varnali, Tereza, Lifshitz, Chava

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.16 MB

english, 1995

35

The pink pigment prodigiosin: Vibrational spectroscopy and DFT calculations

Jehlička, Jan, Němec, Ivan, Varnali, Tereza, Culka, Adam, Svatoš, Aleš, Frank, Ota, Oren, Aharon, Edwards, Howell G.M.

Journal:

Dyes and Pigments

Year:

2016

Language:

english

File:

PDF, 1.40 MB

english, 2016

36

A comparison of scytonemin and its carbon analogue in terms of antioxidant properties through free radical mechanisms and conformational analysis: a DFT investigation

Varnali, Tereza

Journal:

Journal of Molecular Modeling

Year:

2016

Language:

english

File:

PDF, 1.32 MB

english, 2016

37

Hydroxy protons as structural probes to reveal hydrogen bonding properties of polyols in aqueous solution by NMR spectroscopy

Oruc, Gizem, Varnali, Tereza, Bekiroglu, Somer

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 765 KB

english, 2018

38

Two distinct structures of the sandwich complex of scytonemin with iron and their relevance to astrobiology

Varnali, Tereza, Gören, Buğra

Journal:

Structural Chemistry

Year:

2018

Language:

english

File:

PDF, 1.67 MB

english, 2018

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