| Theoretical study on the photochromic cycloreversion reactions of dithienylethenes; on the role of the conical intersections Y Asano, A Murakami, T Kobayashi, A Goldberg, D Guillaumont, ... Journal of the American Chemical Society 126 (38), 12112-12120, 2004 | 141 | 2004 |
| On the difference in cycling behaviors of lithium-ion battery cell between the ethylene carbonate-and propylene carbonate-based electrolytes K Tasaki, A Goldberg, M Winter Electrochimica Acta 56 (28), 10424-10435, 2011 | 132 | 2011 |
| On the temperature, equipartition, degrees of freedom, and finite size effects: Application to aluminum clusters J Jellinek, A Goldberg The Journal of Chemical Physics 113 (7), 2570-2582, 2000 | 112 | 2000 |
| Theoretical investigation on photochromic diarylethene: A short review S Nakamura, S Yokojima, K Uchida, T Tsujioka, A Goldberg, A Murakami, ... Journal of Photochemistry and Photobiology A: Chemistry 200 (1), 10-18, 2008 | 94 | 2008 |
| DFT study of hydrogen adsorption on Al13 clusters I Yarovsky, A Goldberg Molecular Simulation 31 (6-7), 475-481, 2005 | 77 | 2005 |
| Metal‐Catalyzed Ring‐Opening of Alkylidenecyclopropanes: New Access to Building Blocks with an Acyclic Quaternary Stereogenic Center S Simaan, AFG Goldberg, S Rosset, I Marek Chemistry–A European Journal 3 (16), 774-778, 2010 | 68 | 2010 |
| Quantum yields and potential energy surfaces: a theoretical study S Nakamura, T Kobayashi, A Takata, K Uchida, Y Asano, A Murakami, ... Journal of Physical Organic Chemistry 20 (11), 821-829, 2007 | 67 | 2007 |
| High-throughput molecular dynamics simulations and validation of thermophysical properties of polymers for various applications MAF Afzal, AR Browning, A Goldberg, MD Halls, JL Gavartin, T Morisato, ... ACS Applied Polymer Materials 3 (2), 620-630, 2020 | 57 | 2020 |
| Estimation of charge carrier mobility in amorphous organic materials using percolation corrected random-walk model DR Evans, HS Kwak, DJ Giesen, A Goldberg, MD Halls, M Oh-e Organic Electronics 29, 50-56, 2016 | 53 | 2016 |
| Density functional theory study of hydrogen adsorption on cages A Goldberg, I Yarovsky Physical Review B—Condensed Matter and Materials Physics 75 (19), 195403, 2007 | 53 | 2007 |
| Rotational isomerization of dithienylethenes: A study on the mechanism determining quantum yield of cyclization reaction A Goldberg, A Murakami, K Kanda, T Kobayashi, S Nakamura, K Uchida, ... The Journal of Physical Chemistry A 107 (25), 4982-4988, 2003 | 47 | 2003 |
| Electronic spectrum of a photochromic diarylethene derivative in a supersonic free jet. Internal conversion from S2 (1B) to S1 (2A) N Tanaka, C Okabe, K Sakota, T Fukaminato, T Kawai, M Irie, A Goldberg, ... Journal of molecular structure 616 (1-3), 113-118, 2002 | 46 | 2002 |
| CASSCF and CASPT2 studies on the structures, transition energies, and dipole moments of ground and excited states for azulene A Murakami, T Kobayashi, A Goldberg, S Nakamura The Journal of chemical physics 120 (3), 1245-1252, 2004 | 39 | 2004 |
| JW; Ben David, Y.; Milstein, D D Srimani, A Mukherjee, AFG Goldberg, G Leitus, Y Diskin-Posner, ... Angew. Chem 127, 12534-12537, 2015 | 36 | 2015 |
| Raman spectroscopic study on photochromic reaction of a diarylethene derivative C Okabe, N Tanaka, T Fukaminato, T Kawai, M Irie, Y Nibu, H Shimada, ... Chemical physics letters 357 (1-2), 113-118, 2002 | 35 | 2002 |
| Virtual screening of electron acceptor materials for organic photovoltaic applications MD Halls, PJ Djurovich, DJ Giesen, A Goldberg, J Sommer, E McAnally, ... New Journal of Physics 15 (10), 105029, 2013 | 34 | 2013 |
| Structural relaxation dynamics of electronically excited XeArN clusters A Goldberg, J Jortner The Journal of chemical physics 107 (21), 8994-9017, 1997 | 34 | 1997 |
| Highly efficient implementation of pseudospectral time‐dependent density‐functional theory for the calculation of excitation energies of large molecules Y Cao, T Hughes, D Giesen, MD Halls, A Goldberg, TR Vadicherla, ... Journal of Computational Chemistry 37 (16), 1425-1441, 2016 | 30 | 2016 |
| A molecular dynamics study of doubly charged Ar2+n clusters A Goldberg, I Last, TF George The Journal of chemical physics 100 (11), 8277-8283, 1994 | 27 | 1994 |
| Highly functionalized donor–acceptor cyclopropanes applied toward the synthesis of the Melodinus alkaloids AFG Goldberg, RA Craig II, NR O’Connor, BM Stoltz Tetrahedron letters 56 (23), 2983-2990, 2015 | 23 | 2015 |
