| Definitive Ab Initio Studies of Model SN2 Reactions CH3X+F− (X=F, Cl, CN, OH, SH, NH2, PH2) JM Gonzales, C Pak, RS Cox, WD Allen, HF Schaefer Iii, AG Császár, ... Chemistry–A European Journal 9 (10), 2173-2192, 2003 | 241 | 2003 |
| Anatomy of relativistic energy corrections in light molecular systems G Tarczay, AG Csaszar, W Klopper, HM Quiney Molecular Physics 99 (21), 1769-1794, 2001 | 148 | 2001 |
| Vibrational circular dichroism G Magyarfalvi, G Tarczay, E Vass Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (3), 403-425, 2011 | 103* | 2011 |
| Tunneling Lifetime of the ttc/VIp Conformer of Glycine in Low-Temperature Matrices G Bazso, G Magyarfalvi, G Tarczay The Journal of Physical Chemistry A 116 (43), 10539-10547, 2012 | 101 | 2012 |
| Estimation of Lamb-shift effects for molecules: Application to the rotation-vibration spectra of water P Pyykkö, KG Dyall, AG Császár, G Tarczay, OL Polyansky, J Tennyson Physical Review A 63 (2), 024502, 2001 | 100 | 2001 |
| Tautomers of cytosine and their excited electronic states: a matrix isolation spectroscopic and quantum chemical study G Bazsó, G Tarczay, G Fogarasi, PG Szalay Physical Chemistry Chemical Physics 13 (15), 6799-6807, 2011 | 95 | 2011 |
| The barrier to linearity of water G Tarczay, AG Császár, W Klopper, V Szalay, WD Allen, HF Schaefer III The Journal of chemical physics 110 (24), 11971-11981, 1999 | 92 | 1999 |
| Hydrogen Abstraction/Addition Tunneling Reactions Elucidate the Interstellar H2NCHO/HNCO Ratio and H2 Formation KA Haupa, G Tarczay, YP Lee Journal of the American Chemical Society 141 (29), 11614-11620, 2019 | 80 | 2019 |
| Equilibrium inversion barrier of NH3 from extrapolated coupled‐cluster pair energies W Klopper, CCM Samson, G Tarczay, AG Császár Journal of Computational Chemistry 22 (13), 1306-1314, 2001 | 76 | 2001 |
| A matrix isolation study on Ac-Gly–NHMe and Ac-l-Ala–NHMe, the simplest chiral and achiral building blocks of peptides and proteins G Pohl, A Perczel, E Vass, G Magyarfalvi, G Tarczay Physical Chemistry Chemical Physics 9 (33), 4698-4708, 2007 | 73 | 2007 |
| Near-infrared laser induced conformational change of alanine in low-temperature matrixes and the tunneling lifetime of its conformer VI G Bazsó, EE Najbauer, G Magyarfalvi, G Tarczay The Journal of Physical Chemistry A 117 (9), 1952-1962, 2013 | 69 | 2013 |
| Towards the Determination of the Absolute Configuration of Complex Molecular Systems: Matrix Isolation Vibrational Circular Dichroism Study of (R)‐2‐Amino‐1 … G Tarczay, G Magyarfalvi, E Vass Angewandte Chemie 118 (11), 1807-1809, 2006 | 66 | 2006 |
| Near-infrared laser induced conformational change and UV laser photolysis of glycine in low-temperature matrices: Observation of a short-lived conformer G Bazsó, G Magyarfalvi, G Tarczay Journal of Molecular Structure 1025, 33-42, 2012 | 62 | 2012 |
| Gas-phase and Ar-matrix SQM scaling factors for various DFT functionals with basis sets including polarization and diffuse functions C Fábri, T Szidarovszky, G Magyarfalvi, G Tarczay The Journal of Physical Chemistry A 115 (18), 4640-4649, 2011 | 57 | 2011 |
| Effects of strong and weak hydrogen bond formation on VCD spectra: a case study of 2-chloropropionic acid S Góbi, E Vass, G Magyarfalvi, G Tarczay Physical Chemistry Chemical Physics 13 (31), 13972-13984, 2011 | 57 | 2011 |
| Spectroscopy from space AG Császár, G Tarczay, ML Leininger, OL Polyansky, J Tennyson, ... NATO Science Series, 317-339, 2001 | 56 | 2001 |
| Accurate ab initio determination of spectroscopic and thermochemical properties of mono-and dichlorocarbenes G Tarczay, TA Miller, G Czakó, AG Császár Physical Chemistry Chemical Physics 7 (15), 2881-2893, 2005 | 54 | 2005 |
| Rotationally resolved B̃–X̃ electronic spectra of both conformers of the 1-propoxy radical S Gopalakrishnan, CC Carter, L Zu, V Stakhursky, G Tarczay, TA Miller The Journal of chemical physics 118 (11), 4954-4969, 2003 | 52 | 2003 |
| Identification of serine conformers by matrix-isolation IR spectroscopy aided by near-infrared laser-induced conformational change, 2D correlation analysis, and quantum … EE Najbauer, G Bazso, R Apostolo, R Fausto, M Biczysko, V Barone, ... The Journal of Physical Chemistry B 119 (33), 10496-10510, 2015 | 49 | 2015 |
| Dispersed fluorescence spectroscopy of primary and secondary alkoxy radicals J Jin, I Sioutis, G Tarczay, S Gopalakrishnan, A Bezant, TA Miller The Journal of chemical physics 121 (23), 11780-11797, 2004 | 49 | 2004 |
Sándor GóbiMTA-ELTE Lendulet Laboratory Astrochemistry GroupVerified email at ttk.elte.hu
