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Journal of Chemical Theory and Computation|September 1, 2016
Extension of the Universal Force Field for Metal-Organic FrameworksDamien E Coupry, Matthew A Addicoat, Thomas Heine
Physical Chemistry Chemical Physics : PCCP|April 30, 2014
Electron transport in MoWSeS monolayers in the presence of an external electric fieldNourdine Zibouche, Pier Philipsen, Thomas Heine, et al.
The Journal of Physical Chemistry Letters|October 26, 2019
Hydrogen Bonding-Induced Morphology Dependence of Long-Lived Organic Room-Temperature Phosphorescence: A Computational StudyHuili Ma, Hongde Yu, Qian Peng, et al.
The Journal of Chemical Physics|May 16, 2016
Tight-binding approximations to time-dependent density functional theory - A fast approach for the calculation of electronically excited statesRobert Rüger, Erik van Lenthe, Thomas Heine, et al.
Nanoscale|January 28, 2016
Self-assembly of endohedral metallofullerenes: a decisive role of cooling gas and metal-carbon bondingQingming Deng, Thomas Heine, Stephan Irle, et al.
Angewandte Chemie (International Ed. in English)|September 13, 2014
Hexagonal transition-metal chalcogenide nanoflakes with pronounced lateral quantum confinementPere Miró, Jae Hyo Han, Jinwoo Cheon, et al.
Advanced Materials (Deerfield Beach, Fla.)|December 4, 2015
A Single-Material Logical Junction Based on 2D Crystal PdS2Mahdi Ghorbani-Asl, Agnieszka Kuc, Pere Miró, et al.
Nature Communications|February 3, 2026
Diketopyrrolopyrrole-based two-dimensional poly(arylene vinylene)s with high charge carrier mobilityRuyan Zhao, Hongde Yu, Heng Zhang, et al.
Organic Letters|January 3, 2003
Sigma-antiaromaticity in cyclobutane, cubane, and other molecules with saturated four-membered ringsDamian Moran, Mariappan Manoharan, Thomas Heine, et al.
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