学者信息
已发表成果：
WOK 论文 47 篇;其它论文 1 篇;图书及章节 2 本;
-
Machine Learning for Absorption Cross Sections
Journal of Physical Chemistry A,1089-5639,2020-09-03.
Xue, Bao-Xin; Barbatti, Mario; Dral, Pavlo O.
WOS:000569371100021 EI:20204209359857 10.1021/acs.jpca.0c05310
收录情况：SCIE、EI -
Hierarchical machine learning of potential energy surfaces
JOURNAL OF CHEMICAL PHYSICS,0021-9606,2020-05-29.
Dral, Pavlo O.; Owens, Alec; Dral, Alexey; Csanyi, Gabor
WOS:000537898900006 10.1063/5.0006498
收录情况：SCIE -
Quantum Chemistry in the Age of Machine Learning
Journal of Physical Chemistry Letters,1948-7185,2020.
Dral, Pavlo O.
WOS:000526339000051 EI:20201208314977 10.1021/acs.jpclett.9b03664
收录情况：SCIE、EI -
A Spherically Shielded Triphenylamine and Its Persistent Radical Cation
CHEMISTRY-A EUROPEAN JOURNAL,0947-6539,2020.
Schaub, Tobias A.; Mekelburg, Theresa; Dral, Pavlo O.; Miehlich, Matthias; Hampel, Frank; Meyer, Ka...
WOS:000514688800001 EI:20200908243104 10.1002/chem.202000355
收录情况：SCIE、EI -
The Impact of Aggregation on the Photophysics of Spiro-Bridged Heterotriangulenes
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,1433-7851,2020.
Krug, M; Wagner, M; Schaub, TA; Zhang, WS; Schusslbauer, CM; Ascherl, JDR; Munich, PW; Schroder, RR...
WOS:000546415800001 EI:20202808925171 10.1002/anie.202003504
收录情况：SCIE、EI -
Quantum chemistry assisted by machine learning
CHEMICAL PHYSICS AND QUANTUM CHEMISTRY,0065-3276,2020.
Dral, Pavlo O.
WOS:000608840200011 10.1016/bs.aiq.2020.05.002
收录情况：SCIE、CPCI-S
-
5,7,12,14-Tetraphenyl-Substituted 6,13-Diazapentacenes as Versatile Organic Semiconductors: Characterization in Field Effect Transistors
Organic Materials,,2020.
Miriam Hauschild(1,2);Michal Borkowski(3);Pavlo O. Dral(4);Tomasz Marszalek(3,5);Frank Hampel(6);Gaozhan Xie(1);Jan Freudenberg(1);Uwe H. F. Bunz(1);Milan Kivala(1,2)
-
Chapter 11, Pages 291-324//Kenneth Ruud, Erkki J. Brändas.Quantum chemistry assisted by machine learning. (专著). Elsevier, 2020.