Vyzkoušejte nový nástroj s podporou AI
Summon Research Assistant
BETA
Loading…
Loading…
Loading…
First principles investigation of SiC/AlGaN(0001) band offset
Kojima, E., Endo, K., Shirakawa, H., Chokawa, K., Araidai, M., Ebihara, Y., Kanemura, T., Onda, S., Shiraishi, K.
Published in Journal of crystal growth (15.06.2017)
Published in Journal of crystal growth (15.06.2017)
Get full text
Journal Article
Loading…
Pyrolysis of Trifluoroacetic Acid and Trifluoroacetic Anhydride Studied with Mass Spectrometry and Synchrotron Radiation: Decomposition and Free Radical Formation
Cardona, Alejandro L., Salas, Juana, Lesniak, Lukas, Mommers, A. A., Mayer, Paul M., Burgos Paci, Maxi A.
Published in ChemistrySelect (Weinheim) (09.01.2023)
Published in ChemistrySelect (Weinheim) (09.01.2023)
Get full text
Journal Article
Loading…
Cu32(PET)24H8Cl2(PPh4)2: A Copper Hydride Nanocluster with a Bisquare Antiprismatic Core
Lee, Sanghwa, Bootharaju, Megalamane S, Deng, Guocheng, Malola, Sami, Baek, Woonhyuk, Häkkinen, Hannu, Zheng, Nanfeng, Hyeon, Taeghwan
Published in Journal of the American Chemical Society (12.08.2020)
Published in Journal of the American Chemical Society (12.08.2020)
Get full text
Journal Article
Loading…
A Critical Assessment of Two-Body and Three-Body Interactions in Water
Medders, Gregory R, Babin, Volodymyr, Paesani, Francesco
Published in Journal of chemical theory and computation (12.02.2013)
Published in Journal of chemical theory and computation (12.02.2013)
Get full text
Journal Article
Loading…
A generalized Poisson solver for first-principles device simulations
Bani-Hashemian, Mohammad Hossein, Brück, Sascha, Luisier, Mathieu, VandeVondele, Joost
Published in The Journal of chemical physics (28.01.2016)
Published in The Journal of chemical physics (28.01.2016)
Get full text
Journal Article
Loading…
Loading…
Loading…
Antifungal activity of the essential oil of Pelargonium graveolens. Molecular docking, molecular dynamics, DFT, and in silico ADMET studies of five derivatives
Grine, Sara, Taibi, Faiza, Berredjem, Malika, Dekir, Ali, Benaliouche, Fouzia, Rachedi, Khadidja Otmane, Acidi, Anissa, Iqbal, Nasir, Bhat, Ajmal R., Niranjan, Vidya, C, Lavanya, Soltani, Noureddine
Published in Journal of molecular structure (15.12.2023)
Published in Journal of molecular structure (15.12.2023)
Get full text
Journal Article
Loading…
Computational study of glucosepane-water and hydrogen bond formation: an electron topology and orbital analysis
Nash, Anthony, Saßmannshausen, Jörg, Bozec, Laurent, Birch, Helen L., de Leeuw, Nora H.
Published in Journal of biomolecular structure & dynamics (04.04.2017)
Published in Journal of biomolecular structure & dynamics (04.04.2017)
Get full text
Journal Article
Loading…
Spin-Resolved Imaging of Antiferromagnetic Order in Fe4 Se5 Ultrathin Films on SrTiO3
Zhang, Wenhao, Zhang, Zhi-Mo, Nie, Jin-Hua, Gong, Ben-Chao, Cai, Min, Liu, Kai, Lu, Zhong-Yi, Fu, Ying-Shuang
Published in Advanced materials (Weinheim) (01.05.2023)
Published in Advanced materials (Weinheim) (01.05.2023)
Get full text
Journal Article
Loading…
Loading…
Theoretical investigation of quantum confinement on the Rashba effect in ZnO semiconductor nanocrystals
Kasper, Joseph M., Gamelin, Daniel R., Li, Xiaosong
Published in The Journal of chemical physics (06.01.2020)
Get full text
Published in The Journal of chemical physics (06.01.2020)
Journal Article
Loading…
Loading…
Loading…
Toward an Understanding of the Specific Ion Effect Using Density Functional Theory
Baer, Marcel D, Mundy, Christopher J
Published in The journal of physical chemistry letters (05.05.2011)
Published in The journal of physical chemistry letters (05.05.2011)
Get full text
Journal Article
Loading…