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The Journal of Chemical Physics|June 12, 2026
Decoherence-induced adaptive multiconfigurational Ehrenfest dynamics for nonadiabatic scattering simulationsZhecun Shi, Guijie Li, Lei Huang, et al.
Chemical Society Reviews|January 30, 2010
Computational methods for design of organic materials with high charge mobilityLinjun Wang, Guangjun Nan, Xiaodi Yang, et al.
Small (Weinheim an Der Bergstrasse, Germany)|August 11, 2025
Complementary Molecular Passivation of Multiple Surface Defects for Efficient and Stable Inverted Perovskite Solar CellsYupeng Zheng, Tongjun Zheng, Shizi Luo, et al.
Journal of Chemical Theory and Computation|January 13, 2025
Global Minimization of Electronic Hamiltonian 1-Norm via Linear Programming in the Block Invariant Symmetry Shift (BLISS) MethodSmik Patel, Aritra Sankar Brahmachari, Joshua T Cantin, et al.
The Journal of Physical Chemistry Letters|July 22, 2020
Design Rules to Maximize Charge-Carrier Mobility along Conjugated Polymer ChainsSuryoday Prodhan, Jing Qiu, Matteo Ricci, et al.
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