标题/作者 | 年份 |
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Combining machine learning and computational chemistry for predictive insights into chemical systems JA Keith, V Vassilev-Galindo, B Cheng, S Chmiela, M Gastegger, ... Chemical reviews 121 (16), 9816-9872 | 2021 |
AH Motagamwala, JA Dumesic Chemical Reviews 121 (2), 1049-1076 | 2020 |
JR Pliego Jr, JM Riveros Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (2), e1440 | 2020 |
M Gastegger, KT Schütt, KR Müller Chemical science 12 (34), 11473-11483 | 2021 |
GJ Kroes Physical Chemistry Chemical Physics 23 (15), 8962-9048 | 2021 |
X Fu, Y Hu, Y Zhang, Y Zhang, D Tang, L Zhu, C Hu ChemSusChem 13 (3), 501-512 | 2020 |
AK Chew, TW Walker, Z Shen, B Demir, L Witteman, J Euclide, GW Huber, ... ACS Catalysis 10 (3), 1679-1691 | 2019 |
Y Mao, M Loipersberger, KJ Kron, JS Derrick, CJ Chang, SM Sharada, ... Chemical science 12 (4), 1398-1414 | 2021 |
Y Zhou, GE Klinger, EL Hegg, CM Saffron, JE Jackson Journal of the American Chemical Society 142 (8), 4037-4050 | 2020 |
M Steiner, M Reiher Topics in Catalysis 65 (1-4), 6-39 | 2022 |
LK Rihko-Struckmann, O Oluyinka, A Sahni, K McBride, M Fachet, ... RSC advances 10 (42), 24753-24763 | 2020 |
G Bramley, MT Nguyen, VA Glezakou, R Rousseau, CK Skylaris Journal of chemical theory and computation 16 (4), 2703-2715 | 2020 |
AK Chew, S Jiang, W Zhang, VM Zavala, RC Van Lehn Chemical science 11 (46), 12464-12476 | 2020 |
SV Pingali, MD Smith, SH Liu, TB Rawal, Y Pu, R Shah, BR Evans, ... Proceedings of the National Academy of Sciences 117 (29), 16776-16781 | 2020 |
Y Kim, A Mittal, DJ Robichaud, HM Pilath, BD Etz, PC St. John, ... ACS Catalysis 10 (24), 14707-14721 | 2020 |
V Kuznetsov Molecules 25 (10), 2437 | 2020 |
YB Bhujabal, KS Vadagaonkar, A Gholap, YS Sanghvi, R Dandela, ... The Journal of Organic Chemistry 84 (23), 15343-15354 | 2019 |
J Chen, B Chan, Y Shao, J Ho Physical Chemistry Chemical Physics 22 (7), 3855-3866 | 2020 |
BAD Neto, RO Rocha, MO Rodrigues Molecules 27 (1), 132 | 2021 |
CJ Otolski, A Mohan Raj, G Sharma, R Prabhakar, V Ramamurthy, ... The Journal of Physical Chemistry A 123 (24), 5061-5071 | 2019 |
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