641. Modeling of n‐Alkanes on Calcite/Dolomite by Molecular Dynamics Simulations and First‐Principles Calculations. Issue 9 (8th August 2021) Authors: Li, Huifang; Vovusha, Hakkim; Sharma, Sitansh; Singh, Nirpendra; Schwingenschlögl, Udo Journal: Advanced theory and simulations Issue: Volume 4:Issue 9(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
642. Modeling of Soft Sample Deformation in Atomic Force Microscope Imaging: Live Mammalian Cell Example. Issue 1 (16th October 2018) Authors: Ren, Juan; Zou, Qingze Journal: Advanced theory and simulations Issue: Volume 2:Issue 1(2019) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
643. Modeling One‐ and Two‐Photon Excitation of 4′‐(Hydroxymethyl)‐4, 5′, 8‐trimethylpsoralen in Complex with DNA: Solving Electron Spill‐Out Problems in Polarizable QM/MM Calculations. Issue 3 (11th February 2021) Authors: Attia, Amr A. A.; Reinholdt, Peter; Kongsted, Jacob Journal: Advanced theory and simulations Issue: Volume 4:Issue 3(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
644. Modeling Optical Materials at the Single Scatterer Level: The Transition from Homogeneous to Heterogeneous Materials. Issue 11 (13th September 2020) Authors: Werdehausen, Daniel; Santiago, Xavier Garcia; Burger, Sven; Staude, Isabelle; Pertsch, Thomas; Rockstuhl, Carsten; Decker, Manuel Journal: Advanced theory and simulations Issue: Volume 3:Issue 11(2020) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
645. Modeling Sorption and Diffusion of Alkanes, Alkenes, and their Mixtures in Silicalite: From MD and GCMC Molecular Simulations to Artificial Neural Networks. Issue 3 (20th January 2021) Authors: Gurras, Arsenios; Gergidis, Leonidas N. Journal: Advanced theory and simulations Issue: Volume 4:Issue 3(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
646. Modeling the Performance of Dy3+‐Based Boltzmann Thermometers by the Judd–Ofelt Theory. Issue 6 (26th February 2022) Authors: Martinović, Ana; Dramićanin, Miroslav D.; Ćirić, Aleksandar Journal: Advanced theory and simulations Issue: Volume 5:Issue 6(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
647. Modeling Time‐Resolved Kinetics in Solids Induced by Extreme Electronic Excitation. Issue 8 (5th June 2022) Authors: Medvedev, Nikita; Akhmetov, Fedor; Rymzhanov, Ruslan A.; Voronkov, Roman; Volkov, Alexander E. Journal: Advanced theory and simulations Issue: Volume 5:Issue 8(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
648. Model‐Based Investigation of Trap‐Assisted Recombination in Photoelectrodes for Water Splitting. Issue 12 (22nd October 2021) Authors: Cendula, Peter; Sancheti, Anmol; Simon, Pavel Journal: Advanced theory and simulations Issue: Volume 4:Issue 12(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
649. Modification of the Magnetic and Electronic Properties of the Graphene‐Ni(111) Interface via Halogens Intercalation. Issue 1 (23rd November 2021) Authors: Zhou, Yong; Ovcharenko, Roman; Paulus, Beate; Dedkov, Yuriy; Voloshina, Elena Journal: Advanced theory and simulations Issue: Volume 5:Issue 1(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
650. Modified Embedded‐Atom Method Potentials for the Plasticity and Fracture Behaviors of Unary HCP Metals. Issue 1 (1st December 2021) Authors: Chen, Shuai; Aitken, Zachary H.; Sorkin, Viacheslav; Yu, Zhi Gen; Wu, Zhaoxuan; Zhang, Yong‐Wei Journal: Advanced theory and simulations Issue: Volume 5:Issue 1(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗