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Journal of Chemical Theory and Computation|November 24, 2015
SCC-DFTB Parametrization for Boron and BoranesBernhard Grundkötter-Stock, Viktor Bezugly, Jens Kunstmann, et al.Journal of Chemical Theory and Computation|March 9, 2016
Nonadiabatic Molecular Dynamics for Thousand Atom Systems: A Tight-Binding Approach toward PYXAIDSougata Pal, Dhara J Trivedi, Alexey V Akimov, et al.Physical Chemistry Chemical Physics : PCCP|June 16, 2015
Post-anti-van't Hoff-Le Bel motif in atomically thin germanium-copper alloy filmLi-Ming Yang, Ivan A Popov, Alexander I Boldyrev, et al.The Journal of Chemical Physics|April 8, 2017
Charge transfer excitations from particle-particle random phase approximation-Opportunities and challenges arising from two-electron deficient systemsYang Yang, Adriel Dominguez, Du Zhang, et al.Physical Review Letters|September 16, 2000
Single-parent evolution algorithm and the optimization of Si clustersI Rata, A A Shvartsburg, M Horoi, et al.Physical Review Letters|May 1, 2001
Coherent external and internal phonons in quasi-one-dimensional organic molecular crystalsT Hasche, T W Canzler, R Scholz, et al.The Journal of Physical Chemistry. A|January 13, 2006
Toward theoretical analysis of long-range proton transfer kinetics in biomolecular pumpsP H König, N Ghosh, M Hoffmann, et al.Journal of Thrombosis and Thrombolysis|September 4, 2025
Physical activity before venous thromboembolism and risk of recurrence in a population-based inception cohortAnna C Frauenheim, Kerri L Wiggins, Rozenn N Lemaitre, et al.Journal of the American Chemical Society|November 5, 2025
Control of CO<sub>2</sub> Electrocatalysis via Modularly Customizable GraphdiyneXinliang Fu, Xiangyu Guo, Pengyu Shi, et al.Nanoscale|March 10, 2021
Photoinduced charge-transfer in chromophore-labeled gold nanoclusters: quantum evidence of the critical role of ligands and vibronic couplingsAdrian Domínguez-Castro, Carlos R Lien-Medrano, Khaoula Maghrebi, et al.Pageof 26