Tuned range-separated hybrids in density functional theory R Baer, E Livshits, U Salzner Annual review of physical chemistry 61, 85-109, 2010 | 774 | 2010 |
Comparison of geometries and electronic structures of polyacetylene, polyborole, polycyclopentadiene, polypyrrole, polyfuran, polysilole, polyphosphole, polythiophene … U Salzner, JB Lagowski, PG Pickup, RA Poirier Synthetic Metals 96 (3), 177-189, 1998 | 484 | 1998 |
Ab initio examination of anomeric effects in tetrahydropyrans, 1, 3-dioxanes, and glucose U Salzner, PR Schleyer The Journal of Organic Chemistry 59 (8), 2138-2155, 1994 | 269 | 1994 |
Generalized anomeric effects and hyperconjugation in CH2 (OH) 2, CH2 (SH) 2, CH2 (SeH) 2, and CH2 (TeH) 2 U Salzner, PR Schleyer Journal of the American Chemical Society 115 (22), 10231-10236, 1993 | 230 | 1993 |
Improved prediction of properties of π-conjugated oligomers with range-separated hybrid density functionals U Salzner, A Aydin Journal of chemical theory and computation 7 (8), 2568-2583, 2011 | 228 | 2011 |
Koopmans’ springs to life U Salzner, R Baer The Journal of chemical physics 131 (23), 2009 | 227 | 2009 |
Accurate method for obtaining band gaps in conducting polymers using a DFT/hybrid approach U Salzner, PG Pickup, RA Poirier, JB Lagowski The Journal of Physical Chemistry A 102 (15), 2572-2578, 1998 | 199 | 1998 |
Design of low band gap polymers employing density functional theory—hybrid functionals ameliorate band gap problem U Salzner, JB Lagowski, PG Pickup, RA Poirier Journal of computational chemistry 18 (15), 1943-1953, 1997 | 199 | 1997 |
Does the Donor− Acceptor Concept Work for Designing Synthetic Metals? 1. Theoretical Investigation of Poly (3-cyano-3 ‘-hydroxybithiophene) U Salzner The Journal of Physical Chemistry B 106 (36), 9214-9220, 2002 | 94 | 2002 |
Electronic structure of conducting organic polymers: insights from time‐dependent density functional theory U Salzner Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (6), 601-622, 2014 | 89 | 2014 |
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 … U Salzner, ME Köse The Journal of Physical Chemistry B 106 (36), 9221-9226, 2002 | 88 | 2002 |
Origin of the anomeric effect revisited. Theoretical conformation analysis of 2-hydroxypiperidine and 2-hydroxyhexahydropyrimidine U Salzner The Journal of Organic Chemistry 60 (4), 986-995, 1995 | 77 | 1995 |
Conducting copolymers of pyridine with thiophene, N-methylpyrrole, and selenophene IH Jenkins, U Salzner, PG Pickup Chemistry of materials 8 (10), 2444-2450, 1996 | 72 | 1996 |
Use of side-chain for rational design of n-type diketopyrrolopyrrole-based conjugated polymers: what did we find out? C Kanimozhi, N Yaacobi-Gross, EK Burnett, AL Briseno, TD Anthopoulos, ... Physical Chemistry Chemical Physics 16 (32), 17253-17265, 2014 | 69 | 2014 |
Quantitatively correct UV-vis spectrum of ferrocene with TDB3LYP U Salzner Journal of Chemical Theory and Computation 9 (9), 4064-4073, 2013 | 66 | 2013 |
Investigation of charge carriers in doped thiophene oligomers through theoretical modeling of their UV/Vis spectra U Salzner The Journal of Physical Chemistry A 112 (24), 5458-5466, 2008 | 66 | 2008 |
Trends in molecular design strategies for ambient stable n-channel organic field effect transistors J Dhar, U Salzner, S Patil Journal of Materials Chemistry C 5 (30), 7404-7430, 2017 | 62 | 2017 |
Theoretical investigation of excited states of oligothiophenes and of their monocations U Salzner Journal of Chemical Theory and Computation 3 (3), 1143-1157, 2007 | 61 | 2007 |
Nature of charge carriers in long doped oligothiophenes: the effect of counterions N Zamoshchik, U Salzner, M Bendikov The Journal of Physical Chemistry C 112 (22), 8408-8418, 2008 | 59 | 2008 |
Does the donor–acceptor concept work for designing synthetic metals? U Salzner, O Karaltı, S Durdaği Journal of molecular modeling 12 (5), 687-701, 2006 | 57 | 2006 |