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Angewandte Chemie (International Ed. in English)|May 26, 2017
α-Radical Phosphines: Synthesis, Structure, and ReactivityLianghu Gu, Yiying Zheng, Estela Haldón, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|February 24, 2004
Theoretical studies on the smallest fullerene: from monomer to oligomers and solid StatesZhongfang Chen, Thomas Heine, Haijun Jiao, et al.Journal of the American Chemical Society|November 13, 2004
Properties of fullerene[50] and D5h decachlorofullerene[50]: a computational studyXin Lu, Zhongfang Chen, Walter Thiel, et al.The Journal of Physical Chemistry. A|July 31, 2009
DL-FIND: an open-source geometry optimizer for atomistic simulationsJohannes Kästner, Joanne M Carr, Thomas W Keal, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|October 29, 2008
The electronic structure of iron corroles: a combined experimental and quantum chemical studyShengfa Ye, Tell Tuttle, Eckhard Bill, et al.Physical Chemistry Chemical Physics : PCCP|June 8, 2010
Theoretical rotation-torsion spectra of HSOHAndrey Yachmenev, Sergei N Yurchenko, Per Jensen, et al.Journal of the American Chemical Society|August 29, 2012
One-point binding ligands for asymmetric gold catalysis: phosphoramidites with a TADDOL-related but acyclic backboneHenrik Teller, Matthieu Corbet, Luca Mantilli, et al.The Journal of Physical Chemistry. A|July 29, 2009
A variationally computed T = 300 K line list for NH3Sergei N Yurchenko, Robert J Barber, Andrey Yachmenev, et al.The Journal of Chemical Physics|December 20, 2012
Critical appraisal of excited state nonadiabatic dynamics simulations of 9H-adenineMario Barbatti, Zhenggang Lan, Rachel Crespo-Otero, et al.Proceedings of the National Academy of Sciences of the United States of America|October 17, 2020
Desmosome architecture derived from molecular dynamics simulations and cryo-electron tomographyMateusz Sikora, Utz H Ermel, Anna Seybold, et al.Pageof 59