Zobrazeno 1 - 10
of 54
pro vyhledávání: '"Jingbai Li"'
Publikováno v:
Artificial Intelligence Chemistry, Vol 1, Iss 2, Pp 100018- (2023)
Machine learning photodynamics simulations are revolutionary tools to resolve elusive photochemical reaction mechanisms with time-dependent high-fidelity structure information. Besides the recent advances in neural networks (NNs) potentials, it still
Externí odkaz:
https://doaj.org/article/b9ed61d56db14e03b3a78307e46763e5
Autor:
Young Ju Yun, Manoj K. Manna, Nareshbabu Kamatham, Jingbai Li, Shuyang Liu, Francesca Peccati, Barry C. Pemberton, Gary P. Wiederrecht, David J. Gosztola, Gonzalo Jiménez-Osés, Andrey Yu Rogachev, A. Jean-Luc Ayitou
Publikováno v:
Journal of Photochemistry and Photobiology, Vol 10, Iss , Pp 100112- (2022)
ABSTRACT: Two phenylene based geometrical/isomeric triplet ortho- and para–dyads (o–3 and p–3, respectively) were synthesized and fully characterized using advanced photophysical tools and computations. In dyad o–3, the through-space donor-ac
Externí odkaz:
https://doaj.org/article/37aaacfc783f4bdeacfd35b510800bc4
Autor:
Charles Farber, Jingbai Li, Elizabeth Hager, Robert Chemelewski, John Mullet, Andrey Yu. Rogachev, Dmitry Kurouski
Publikováno v:
ACS Omega, Vol 4, Iss 2, Pp 3700-3707 (2019)
Externí odkaz:
https://doaj.org/article/641cde8bc2994502a5441e4075419808
Autor:
Jincheng Si, Hai-Lun Xia, Kang Zhou, Jingbai Li, Kai Xing, Jiafeng Miao, Jian Zhang, Hao Wang, Lu-Lu Qu, Xiao-Yuan Liu, Jing Li
Publikováno v:
Journal of the American Chemical Society. 144:22170-22177
Herein, we demonstrate the successful utilization of reticular chemistry as an excellent designing strategy for the deliberate construction of a zirconium-tetracarboxylate metal-organic framework (MOF) inspired by the Olympic rings. HIAM-4017, with a
Autor:
Chi Soo Kang, Shuyuan Zhang, Haixing Wang, Yujie Liu, Siyuan Ren, Yanda Chen, Jingbai Li, Nilantha Bandara, Andrey Yu Rogachev, Buck E. Rogers, Hyun-Soon Chong
Publikováno v:
ACS Omega. 7:37229-37236
Autor:
Jingbai Li, Steven Lopez
Machine learning (ML) continues to revolutionize computational chemistry by accelerating predictions and simulations by training on experimental or accurate but expensive quantum chemical (QC) calculations. Photodynamics simulations require hundreds
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2e639f9248a30fb39c92749cdbcfc7dc
https://doi.org/10.26434/chemrxiv-2023-v13tv
https://doi.org/10.26434/chemrxiv-2023-v13tv
Autor:
Jingbai Li, Steven A. Lopez
Publikováno v:
Accounts of Chemical Research. 55:1972-1984
Photochemical reactions are of great importance in chemistry, biology, and materials science because they take advantage of a renewable energy source, mild reaction conditions, and high atom economy. Light absorption can excite molecules to a higher
Autor:
Stefano Battaglia, Yi-Chun Chu, Stefano Corni, Juliana Cuéllar-Zuquin, Piotr de Silva, Leonardo Evaristo de Sousa, Adrian L. Dempwolff, Valentin Diez-Cabanes, Pavlo O. Dral, Andreas Dreuw, Simona Fantacci, Daniele Fazzi, Ignacio Fdez. Galván, Antonio Francés-Monerris, Jacopo Fregoni, Luis Manuel Frutos, Cristina García-Iriepa, Angelo Giussani, John M. Herbert, Alejandro Jodra, Waldemar Kaiser, M.G. Khrenova, Jingbai Li, Roland Lindh, Steven A. Lopez, Raúl Losantos, Zhao-Xue Luan, Marco Marazzi, Lara Martínez-Fernández, Edoardo Mosconi, Isabelle Navizet, Martina Nucci, Mariachiara Pastore, Daniel Roca-Sanjuán, Diego Sampedro, A.P. Savitsky, Javier Segarra-Martí, Morgane Vacher, Xin-Ping Wu, Ming-Yu Yang, Lin Zhao, Zi-Jian Zhou
Publikováno v:
Theoretical and Computational Photochemistry ISBN: 9780323917384
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2cb3ddcfe3393db071befb4019b0c336
https://doi.org/10.1016/b978-0-323-91738-4.09992-9
https://doi.org/10.1016/b978-0-323-91738-4.09992-9
Publikováno v:
Theoretical and Computational Photochemistry ISBN: 9780323917384
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d7502b1e27cb9e1d20faca1b41ee796d
https://doi.org/10.1016/b978-0-323-91738-4.00002-6
https://doi.org/10.1016/b978-0-323-91738-4.00002-6
Storing solar energy is a vital component of using renewable energy sources to meet the growing demands of the global energy economy. Molecular solar thermal (MOST) energy storage is a promising means to store solar energy with on-demand energy relea
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::953f637f02792cb04aff9204cf1f46ea
https://doi.org/10.26434/chemrxiv-2022-w3x91-v2
https://doi.org/10.26434/chemrxiv-2022-w3x91-v2