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
212 2015 Coaxing solid‐state phosphorescence from tellurophenes G He, W Torres Delgado, DJ Schatz, C Merten, A Mohammadpour, L Mayr, ...
Angewandte Chemie International Edition 53 (18), 4587-4591, 2014
174 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
133 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
128 2014 Quantum and classical studies of vibrational motion of 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
123 2004 Classical and quasiclassical spectral analysis of 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
115 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
108 2004 Spin-polarized hydrogen atoms from molecular photodissociation TP Rakitzis, PC Samartzis, RL Toomes, TN Kitsopoulos, A Brown, ...
Science 300 (5627), 1936-1938, 2003
104 2003 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
96 2013 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
93 2009 Quantum computing based on vibrational eigenstates: Pulse area theorem analysis T Cheng, A Brown
The Journal of chemical physics 124 (3), 2006
93 2006 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
90 2000 Full-dimensionality quantum calculations of acetylene–vinylidene isomerization S Zou, JM Bowman, A Brown
The Journal of chemical physics 118 (22), 10012-10023, 2003
80 2003 Controlled growth of dichlorogermanium oligomers from Lewis basic hosts. SM Al-Rafia, MR Momeni, R McDonald, MJ Ferguson, A Brown, E Rivard
Angewandte Chemie International Edition 52 (25), 2013
79 2013 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
77 2015 Aerobic solid state red phosphorescence from benzobismole monomers and patternable self‐assembled block copolymers SM Parke, E Hupf, GK Matharu, I de Aguiar, L Xu, H Yu, MP Boone, ...
Angewandte Chemie International Edition 57 (45), 14841-14846, 2018
73 2018 Optimal control theory for manipulating molecular processes GG Balint-Kurti, S Zou, A Brown
Advances in chemical physics 138, 43-94, 2008
71 2008 Stable complexes of parent digermene: An inorganic analogue of ethylene SMI Al-Rafia, MR Momeni, MJ Ferguson, R McDonald, A Brown, E Rivard
Organometallics 32 (22), 6658-6665, 2013
65 2013 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
64 2000 
Joel BowmanProfessor of Chemistry, Emory UniversityOverená e-mailová adresa na: emory.edu
