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
114 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
93 2008 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
93 2008 DFT study of hydrogen adsorption on Al13 clusters I Yarovsky, A Goldberg
Molecular Simulation 31 (6-7), 475-481, 2005
76 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
66 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
53 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 Al 12 cages A Goldberg, I Yarovsky
Physical Review B 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
37 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 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