| Why do TD-DFT excitation energies of BODIPY/aza-BODIPY families largely deviate from experiment? Answers from electron correlated and multireference methods MR Momeni, A Brown Journal of chemical theory and computation 11 (6), 2619-2632, 2015 | 156 | 2015 |
| Coaxing solid‐state phosphorescence from tellurophenes G He, W Torres Delgado, DJ Schatz, C Merten, A Mohammadpour, L Mayr, ... Angewandte Chemie 126 (18), 4675-4679, 2014 | 152 | 2014 |
| Continuum state spectroscopy: A high resolution ion imaging study of IBr photolysis in the wavelength range 440–685 nm E Wrede, S Laubach, S Schulenburg, A Brown, ER Wouters, AJ Orr-Ewing, ... The Journal of Chemical Physics 114 (6), 2629-2646, 2001 | 124 | 2001 |
| Accessing zinc monohydride cations through coordinative interactions PA Lummis, MR Momeni, MW Lui, R McDonald, MJ Ferguson, ... Angewandte Chemie 126 (35), 9501-9505, 2014 | 109 | 2014 |
| Quantum and classical studies of vibrational motion of on a global potential energy surface obtained from a novel ab initio direct dynamics approach A Brown, AB McCoy, BJ Braams, Z Jin, JM Bowman The Journal of chemical physics 121 (9), 4105-4116, 2004 | 108 | 2004 |
| Classical and quasiclassical spectral analysis of using an ab initio potential energy surface A Brown, BJ Braams, K Christoffel, Z Jin, JM Bowman The Journal of chemical physics 119 (17), 8790-8793, 2003 | 106 | 2003 |
| Ab initio diffusion Monte Carlo calculations of the quantum behavior of CH5+ in full dimensionality AB McCoy, BJ Braams, A Brown, X Huang, Z Jin, JM Bowman The Journal of Physical Chemistry A 108 (23), 4991-4994, 2004 | 95 | 2004 |
| Spin-polarized hydrogen atoms from molecular photodissociation TP Rakitzis, PC Samartzis, RL Toomes, TN Kitsopoulos, A Brown, ... Science 300 (5627), 1936-1938, 2003 | 94 | 2003 |
| Quantum computing based on vibrational eigenstates: Pulse area theorem analysis T Cheng, A Brown The Journal of chemical physics 124 (3), 034111, 2006 | 91 | 2006 |
| Photophysical characterization of triazole-substituted coumarin fluorophores JA Key, S Koh, QK Timerghazin, A Brown, CW Cairo Dyes and Pigments 82 (2), 196-203, 2009 | 86 | 2009 |
| Carbene-bound borane and silane adducts: A comprehensive DFT study on their stability and propensity for hydride-mediated ring expansion MR Momeni, E Rivard, A Brown Organometallics 32 (21), 6201-6208, 2013 | 85 | 2013 |
| Rotating-wave approximation for the interaction of a pulsed laser with a two-level system possessing permanent dipole moments A Brown, WJ Meath, P Tran Physical Review A 63 (1), 013403, 2000 | 83 | 2000 |
| Vector correlations and alignment parameters in the photodissociation of HF and DF GG Balint-Kurti, AJ Orr-Ewing, JA Beswick, A Brown, OS Vasyutinskii The Journal of chemical physics 116 (24), 10760-10771, 2002 | 79 | 2002 |
| Phosphorescence within benzotellurophenes and color tunable tellurophenes under ambient conditions G He, BD Wiltshire, P Choi, A Savin, S Sun, A Mohammadpour, ... Chemical Communications 51 (25), 5444-5447, 2015 | 69 | 2015 |
| Full-dimensionality quantum calculations of acetylene–vinylidene isomerization S Zou, JM Bowman, A Brown The Journal of chemical physics 118 (22), 10012-10023, 2003 | 69 | 2003 |
| Controlled growth of dichlorogermanium oligomers from Lewis basic hosts SMI Al‐Rafia, MR Momeni, R McDonald, MJ Ferguson, A Brown, E Rivard Angewandte Chemie International Edition 52 (25), 6390-6395, 2013 | 67 | 2013 |
| Optimal control theory for manipulating molecular processes GG Balint-Kurti, S Zou, A Brown Advances in chemical physics 138, 43-94, 2008 | 67 | 2008 |
| Ultraviolet photodissociation of HCl in selected rovibrational states: Experiment and theory PM Regan, D Ascenzi, A Brown, GG Balint-Kurti, AJ Orr-Ewing The Journal of Chemical Physics 112 (23), 10259-10268, 2000 | 66 | 2000 |
| A DFT investigation on the structural and antioxidant properties of new isolated interglycosidic O-(1→ 3) linkage flavonols GLC de Souza, LMF de Oliveira, RG Vicari, A Brown Journal of molecular modeling 22 (4), 1-9, 2016 | 56 | 2016 |
| Photodissociation of HBr. 1. Electronic structure, photodissociation dynamics, and vector correlation coefficients AG Smolin, OS Vasyutinskii, GG Balint-Kurti, A Brown The Journal of Physical Chemistry A 110 (16), 5371-5378, 2006 | 55 | 2006 |
Joel BowmanProfessor of Chemistry, Emory UniversityVerified email at emory.edu
