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J. Org. Chem., 2026, 91, 1634
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Enhanced bactericidal activity of selenosteroid complexes with zinc, copper, and cobalt against resistant bacterial strains

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The Journal of Steroid Biochemistry and Molecular Biology, 2025, 253, 106793
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Engineering the Formation of Chalcogen Bonds with Water: I. Heterodimers of the Chalcogen Hydrides H2O–H2X (X = S, Se, Te)

Maxwell P. Hoffman and Sotiris S. Xantheas

J. Phys. Chem. A, 2025, 129, 11328
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On the Potential Energy Surface of the Pyrene Dimer

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IJMS, 2024, 25, 10762
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Revisiting the Most Stable Structures of the Benzene Dimer

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IJMS, 2024, 25, 8272
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Temperature‐Inert Coinage Metal Cluster Scintillator

You‐Song Hu, Yan‐Hao Liu, Ruo‐Yu Cao, Yu‐Bing Si, Wei‐Miao He, Ruo‐Yu Fang, Jia‐Wang Yuan, Qiu‐Chen Peng, Zhao‐Yang Wang, Kai Li and Shuang‐Quan Zang

Angewandte Chemie, 2025, 137
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The effect of bond functions on intermolecular interactions for van der Waals dimers of neon, methane, and perfluoromethane

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The Journal of Chemical Physics, 2025, 163
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The fragment-based and perturbation theories treatment of the excited benzene excimer

Ilya O. Glebov, Georgii A. Akimov and Andrey V. Stolyarov

Journal of Photochemistry and Photobiology A: Chemistry, 2026, 472, 116805
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Polymorphism and White Light Emission of 1‐Bromo‐3,5,7‐triphenyladamantane Compared with 1,3,5,7‐Tetraphenyladamantane

Saravanan Gowrisankar, Andrey A. Fokin, Jonathan Becker, Neeshma Mathew, Jörn Schmedt auf der Günne and Peter R. Schreiner

Eur J Org Chem, 2024, 27
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Investigation of Chrysene heterodimers complexes potential energy surface using ab initio computational methods

Ali Hamzah Alessa

Computational and Theoretical Chemistry, 2024, 1241, 114864
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Good Practices in Database Generation for Benchmarking Density Functional Theory

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WIREs Comput Mol Sci, 2025, 15
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Water Cooperativity Impacts Aromatic Interactions in the Aggregation of Benzene with Water

Amanda L. Steber, Farha S. Hussain, Alberto Lesarri, Timothy S. Zwier, Brooks H. Pate, Luca Evangelisti and Cristóbal Pérez

J. Am. Chem. Soc., 2025, 147, 19568
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Orientational Order of Phenyl Rotors on Triangular Platforms on Ag and Au(111)

Behzad Mortezapour, Sebastian Hamer, Rainer Herges, Roberto Robles and Richard Berndt

ACS Nano, 2025, 19, 38773
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Scalable Quantum Monte Carlo with Direct-Product Trial Wave Functions

Hung Q. Pham, Runsheng Ouyang and Dingshun Lv

J. Chem. Theory Comput., 2024, 20, 3524
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Affinity of Nicotinoids to a Model Nicotinic Acetylcholine Receptor (nAChR) Binding Pocket in the Human Brain

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J. Phys. Chem. B, 2024, 128, 4577
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Temperature‐Inert Coinage Metal Cluster Scintillator

You‐Song Hu, Yan‐Hao Liu, Ruo‐Yu Cao, Yu‐Bing Si, Wei‐Miao He, Ruo‐Yu Fang, Jia‐Wang Yuan, Qiu‐Chen Peng, Zhao‐Yang Wang, Kai Li and Shuang‐Quan Zang

Angew Chem Int Ed, 2025, 64
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Revisiting acene dimers: A comprehensive theoretical study of a less explored conformer

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The Journal of Chemical Physics, 2026, 164
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