Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 896 | 2021 |
Arene effects on difluoroboron β-diketonate mechanochromic luminescence T Liu, AD Chien, J Lu, G Zhang, CL Fraser Journal of Materials Chemistry 21 (23), 8401-8408, 2011 | 121 | 2011 |
Excited states of methylene, polyenes, and ozone from heat-bath configuration interaction AD Chien, AA Holmes, M Otten, CJ Umrigar, S Sharma, PM Zimmerman The Journal of Physical Chemistry A 122 (10), 2714-2722, 2018 | 115 | 2018 |
Structure and Dynamics of the 1(TT) State in a Quinoidal Bithiophene: Characterizing a Promising Intramolecular Singlet Fission Candidate AD Chien, AR Molina, N Abeyasinghe, OP Varnavski, T Goodson III, ... The Journal of Physical Chemistry C 119 (51), 28258-28268, 2015 | 59 | 2015 |
Fully conjugated [4] chrysaorene. Redox-coupled anion binding in a tetraradicaloid macrocycle H Gregolinska, M Majewski, PJ Chmielewski, J Gregolinski, A Chien, ... Journal of the American Chemical Society 140 (43), 14474-14480, 2018 | 49 | 2018 |
5, 10-Dimesityldiindeno [1, 2-a: 2′, 1′-i] phenanthrene: a stable biradicaloid derived from Chichibabin's hydrocarbon MA Majewski, PJ Chmielewski, A Chien, Y Hong, T Lis, M Witwicki, D Kim, ... Chemical Science 10 (11), 3413-3420, 2019 | 43 | 2019 |
Recovering dynamic correlation in spin flip configuration interaction through a difference dedicated approach AD Chien, PM Zimmerman The Journal of Chemical Physics 146 (1), 2017 | 43 | 2017 |
Mercury magnetic isotope effect: A plausible photochemical mechanism LC Motta, AD Chien, AE Rask, PM Zimmerman The Journal of Physical Chemistry A 124 (19), 3711-3719, 2020 | 17 | 2020 |
Iterative submatrix diagonalisation for large configuration interaction problems AD Chien, PM Zimmerman Molecular Physics 116 (1), 107-117, 2018 | 4 | 2018 |
Quantum chemical package Jaguar: A survey of recent developments and unique features Y Cao, T Balduf, MD Beachy, MC Bennett, AD Bochevarov, A Chien, ... The Journal of Chemical Physics 161 (5), 2024 | 3 | 2024 |
Electronic Structure of Excited States with Configuration Interaction Methods A Chien | | 2017 |
Describing correlation in the 1 (TT) singlet fission intermediate A Chien, P Zimmerman ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
How to make Dynamical Mean Field Theory quantitative? D Zgid, Y Li, A Chien ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 246, 2013 | | 2013 |
Arene effects on difluoroboron beta-diketonate mechanochromic luminescence (vol 21, pg 8401, 2011) T Liu, AD Chien, J Lu, G Zhang, CL Fraser JOURNAL OF MATERIALS CHEMISTRY 21 (48), 19416-19416, 2011 | | 2011 |