Solvated ensemble averaging in the calculation of partial atomic charges M Basma, S Sundara, D Çalgan, T Vernali, RJ Woods Journal of computational chemistry 22 (11), 1125-1137, 2001 | 185 | 2001 |
Scytonemin: molecular structural studies of a key extremophilic biomarker for astrobiology T Varnali, HGM Edwards, MD Hargreaves International Journal of Astrobiology 8 (2), 133-140, 2009 | 48 | 2009 |
Ab initio calculations of scytonemin derivatives of relevance to extremophile characterization by Raman spectroscopy T Varnali, HGM Edwards Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2010 | 31 | 2010 |
Acrylamide and glycidamide adducts of Guanine NZ Atay, D Çalgan, E Ozakat, T Varnali Journal of Molecular Structure 728, 249-251, 2005 | 25 | 2005 |
Reduced and oxidised scytonemin: theoretical protocol for Raman spectroscopic identification of potential key biomolecules for astrobiology T Varnali, HGM Edwards Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 117, 72-77, 2014 | 24 | 2014 |
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 T Varnali, HGM Edwards Planetary and Space Science 82, 128-133, 2013 | 24 | 2013 |
Iron-scytonemin complexes: DFT calculations on new UV protectants for terrestrial cyanobacteria and astrobiological implications T Varnali, HGM Edwards Astrobiology 10 (7), 711-716, 2010 | 22 | 2010 |
Structures and energetics of proton-bound formic acid—water clusters,(HCOOH) n (H2O) H+ V Aviyente, R Zhang, T Varnali, C Lifshitz International journal of mass spectrometry and ion processes 161 (1-3), 123-132, 1997 | 21 | 1997 |
Theoretical study of novel complexed structures for methoxy derivatives of scytonemin: potential biomarkers in iron-rich stressed environments T Varnali, HGM Edwards Astrobiology 13 (9), 861-869, 2013 | 20 | 2013 |
Modeling glycosaminoglycans—hyaluronan, chondroitin, chondroitin sulfate A, chondroitin sulfate C and keratan sulfate H Bayraktar, E Akal, O Sarper, T Varnali Journal of Molecular Structure: THEOCHEM 683 (1-3), 121-132, 2004 | 20 | 2004 |
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 … T Varnali, I Hargittai Journal of Molecular Structure: THEOCHEM 388, 315-319, 1996 | 19 | 1996 |
Associated species of dimethylsulfoxide: Semiempirical modeling T Varnali Structural Chemistry 7, 111-118, 1996 | 19 | 1996 |
Raman spectroscopic identification of scytonemin and its derivatives as key biomarkers in stressed environments T Varnali, HGM Edwards Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2014 | 17 | 2014 |
Reversibly Reducible cis-Dichloroplatinum (II) and cis-Dichloropalladium (II) Complexes of Bis (1-methylimidazol-2-yl) glyoxal E Bulak, M Leboschka, B Schwederski, O Sarper, T Varnali, J Fiedler, ... Inorganic chemistry 46 (14), 5562-5566, 2007 | 16 | 2007 |
Tris (triphenylphosphine) rhodium cyano and triphenylcyanoborate complexes: Structures and a DFT study MA Fernandes, V Cîrcu, R Weber, T Varnali, L Carlton Journal of chemical crystallography 32 (8), 273-278, 2002 | 16 | 2002 |
Modeling chromium sulfate complexes in relation to chromium tannage in leather technology: a computational study S Imer, T Varnali Applied organometallic chemistry 14 (10), 660-669, 2000 | 14 | 2000 |
Structures, energetics, and reactions of proton-bound hydrazine clusters WY Feng, V Aviyente, T Varnali, C Lifshitz The Journal of Physical Chemistry 99 (6), 1776-1785, 1995 | 14 | 1995 |
Comparison of Ni, Pd, Pt complexes of N, N-bis (dialkylphosphinomethyl) aminomethane: A DFT study A Koseoğlu, E Kraka, O Serindağ, T Varnali Journal of Molecular Structure: THEOCHEM 896 (1-3), 49-53, 2009 | 13 | 2009 |
Hydroboration of the Amino(imino)borane [Me3C(Me3Si)N]B[N(CMe3)] E Bulak, T Varnal, P Paetzold, U Englert Zeitschrift für anorganische und allgemeine Chemie 625 (1), 3-5, 1999 | 13 | 1999 |
MM3 calculations on sulfoxides NL Allinger, Y Fan, T Varnali Journal of physical organic chemistry 9 (3), 159-167, 1996 | 13 | 1996 |