An evaluation of harmonic vibrational frequency scale factors JP Merrick, D Moran, L Radom The Journal of Physical Chemistry A 111 (45), 11683-11700, 2007 | 2910 | 2007 |
Popular theoretical methods predict benzene and arenes to be nonplanar D Moran, AC Simmonett, FE Leach, WD Allen, PR Schleyer, HF Schaefer Journal of the American Chemical Society 128 (29), 9342-9343, 2006 | 297 | 2006 |
The oxidation states of copper and iron in mineral sulfides, and the oxides formed on initial exposure of chalcopyrite and bornite to air SW Goh, AN Buckley, RN Lamb, RA Rosenberg, D Moran Geochimica et Cosmochimica Acta 70 (9), 2210-2228, 2006 | 269 | 2006 |
Towards graphite: magnetic properties of large polybenzenoid hydrocarbons D Moran, F Stahl, HF Bettinger, HF Schaefer, PR Schleyer Journal of the American Chemical Society 125 (22), 6746-6752, 2003 | 193 | 2003 |
On the Stability of Large [4n]Annulenes CS Wannere, D Moran, NL Allinger, BA Hess, LJ Schaad, PR Schleyer Organic Letters 5 (17), 2983-2986, 2003 | 132 | 2003 |
σ-Antiaromaticity in cyclobutane, cubane, and other molecules with saturated four-membered rings D Moran, M Manoharan, T Heine, PVR Schleyer Organic Letters 5 (1), 23-26, 2003 | 120 | 2003 |
Bond dissociation energies and radical stabilization energies: An assessment of contemporary theoretical procedures AS Menon, GPF Wood, D Moran, L Radom The Journal of Physical Chemistry A 111 (51), 13638-13644, 2007 | 110 | 2007 |
2-pyridinethiol/2-pyridinethione tautomeric equilibrium. A comparative experimental and computational study D Moran, K Sukcharoenphon, R Puchta, HF Schaefer, PR Schleyer, ... The Journal of organic chemistry 67 (25), 9061-9069, 2002 | 99 | 2002 |
Aromaticity of the Bergman, Myers− Saito, Schmittel, and Directly Related Cyclizations of Enediynes F Stahl, D Moran, P von Ragué Schleyer, M Prall, PR Schreiner The Journal of Organic Chemistry 67 (5), 1453-1461, 2002 | 98 | 2002 |
An assessment of theoretical procedures for predicting the thermochemistry and kinetics of hydrogen abstraction by methyl radical from benzene K Hemelsoet, D Moran, V Van Speybroeck, M Waroquier, L Radom The Journal of Physical Chemistry A 110 (28), 8942-8951, 2006 | 85 | 2006 |
Bond dissociation energies and radical stabilization energies associated with model peptide-backbone radicals GPF Wood, D Moran, R Jacob, L Radom The Journal of Physical Chemistry A 109 (28), 6318-6325, 2005 | 82 | 2005 |
Structures, stabilities, and ionization potentials of dodecahedrane endohedral complexes D Moran, F Stahl, ED Jemmis, HF Schaefer, PR Schleyer The Journal of Physical Chemistry A 106 (20), 5144-5154, 2002 | 81 | 2002 |
Measurement of diffractive dissociation cross sections in collisions at V Khachatryan, AM Sirunyan, A Tumasyan, W Adam, T Bergauer, ... Physical Review D 92 (1), 012003, 2015 | 80 | 2015 |
Carbene stabilization by aryl substituents. Is bigger better? HL Woodcock, D Moran, BR Brooks, PR Schleyer, HF Schaefer Journal of the American Chemical Society 129 (12), 3763-3770, 2007 | 72 | 2007 |
Metal-Mediated Formation of Gas-Phase Amino Acid Radical Cations, CK Barlow, D Moran, L Radom, WD McFadyen, RAJ O'Hair The Journal of Physical Chemistry A 110 (27), 8304-8315, 2006 | 71 | 2006 |
An Experimental and Theoretical Investigation of Gas‐Phase Reactions of Ca2+ with Glycine I Corral, O Mó, M Yáñez, JY Salpin, J Tortajada, D Moran, L Radom Chemistry–A European Journal 12 (26), 6787-6796, 2006 | 70 | 2006 |
σ-Aromaticity and σ-antiaromaticity in saturated inorganic rings ZH Li, D Moran, KN Fan, PR Schleyer The Journal of Physical Chemistry A 109 (16), 3711-3716, 2005 | 70 | 2005 |
On the Viability of Small Endohedral Hydrocarbon Cage Complexes: X@C4H4, X@C8H8, X@C8H14, X@C10H16, X@C12H12, and X@C16H16 D Moran, HL Woodcock, Z Chen, HF Schaefer, PR Schleyer Journal of the American Chemical Society 125 (37), 11442-11451, 2003 | 58 | 2003 |
Thermochemistry and kinetics of hydrogen abstraction by methyl radical from polycyclic aromatic hydrocarbons K Hemelsoet, V Van Speybroeck, D Moran, GB Marin, L Radom, ... The Journal of Physical Chemistry A 110 (50), 13624-13631, 2006 | 51 | 2006 |
Structures and Stabilities of Endo- and Exohedral Dodecahedrane Complexes (X@C20H20 and XC20H20, X = H+, H, N, P, C-, Si-, O+, S+) Z Chen, H Jiao, D Moran, A Hirsch, W Thiel, PR Schleyer The Journal of Physical Chemistry A 107 (12), 2075-2079, 2003 | 51 | 2003 |