Search for stationary points on surfaces A Banerjee, N Adams, J Simons, R Shepard The Journal of Physical Chemistry 89 (1), 52-57, 1985 | 929 | 1985 |
Second quantization-based methods in quantum chemistry P Jørgensen Elsevier, 2012 | 680 | 2012 |
Walking on potential energy surfaces J Simons, P Joergensen, H Taylor, J Ozment The Journal of Physical Chemistry 87 (15), 2745-2753, 1983 | 566 | 1983 |
Molecular anions J Simons The Journal of Physical Chemistry A 112 (29), 6401-6511, 2008 | 434 | 2008 |
Passing the one-billion limit in full configuration-interaction (FCI) calculations J Olsen, P Jørgensen, J Simons Chemical Physics Letters 169 (6), 463-472, 1990 | 434 | 1990 |
Ab initio electronic structure of anions J Simons, KD Jordan Chemical Reviews 87 (3), 535-555, 1987 | 424 | 1987 |
How do low-energy (0.1− 2 eV) electrons cause DNA-strand breaks? J Simons Accounts of chemical research 39 (10), 772-779, 2006 | 405 | 2006 |
Tetracoordinated Planar Carbon in the Al4C- Anion. A Combined Photoelectron Spectroscopy and ab Initio Study X Li, LS Wang, AI Boldyrev, J Simons Journal of the American Chemical Society 121 (25), 6033-6038, 1999 | 326 | 1999 |
Mechanism for damage to DNA by low-energy electrons R Barrios, P Skurski, J Simons The Journal of Physical Chemistry B 106 (33), 7991-7994, 2002 | 322 | 2002 |
Theory of electron affinities of small molecules J Simons, WD Smith The Journal of Chemical Physics 58 (11), 4899-4907, 1973 | 319 | 1973 |
The Only Stable State of O2- Is the X 2Πg Ground State and It (Still!) Has an Adiabatic Electron Detachment Energy of 0.45 eV KM Ervin, I Anusiewicz, P Skurski, J Simons, WC Lineberger The Journal of Physical Chemistry A 107 (41), 8521-8529, 2003 | 312 | 2003 |
First experimental photoelectron spectra of superhalogens and their theoretical interpretations XB Wang, CF Ding, LS Wang, AI Boldyrev, J Simons The Journal of chemical physics 110 (10), 4763-4771, 1999 | 303 | 1999 |
Catalytic hydrodeoxygenation of methyl-substituted phenols: Correlations of kinetic parameters with molecular properties FE Massoth, P Politzer, MC Concha, JS Murray, J Jakowski, J Simons The Journal of Physical Chemistry B 110 (29), 14283-14291, 2006 | 256 | 2006 |
Experimental observation of pentaatomic tetracoordinate planar carbon-containing molecules LS Wang, AI Boldyrev, X Li, J Simons Journal of the American Chemical Society 122 (32), 7681-7687, 2000 | 256 | 2000 |
Geometrical derivatives of energy surfaces and molecular properties P Jørgensen, J Simons Springer Science & Business Media, 2012 | 252 | 2012 |
Damage to model DNA fragments from very low-energy (< 1 eV) electrons J Berdys, I Anusiewicz, P Skurski, J Simons Journal of the American Chemical Society 126 (20), 6441-6447, 2004 | 246 | 2004 |
Understanding heterolytic bond cleavage PB Armentrout, J Simons Journal of the American Chemical Society 114 (22), 8627-8633, 1992 | 230 | 1992 |
The coupled‐cluster method with a multiconfiguration reference state A Banerjee, J Simons International Journal of Quantum Chemistry 19 (2), 207-216, 1981 | 211 | 1981 |
Relative stabilities of fullerene, cumulene, and polyacetylene structures for Cn: n= 18–60 M Feyereisen, M Gutowski, J Simons, J Almlöf The Journal of chemical physics 96 (4), 2926-2932, 1992 | 209 | 1992 |
Dipole-bound anions of glycine based on the zwitterion and neutral structures M Gutowski, P Skurski, J Simons Journal of the American Chemical Society 122 (41), 10159-10162, 2000 | 207 | 2000 |