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Chemical Science|November 21, 2025
Beyond real: alternative unitary cluster Jastrow models for molecular electronic structure calculations on near-term quantum computersNikolay V Tkachenko, Hang Ren, Wendy M Billings, et al.Proceedings of the National Academy of Sciences of the United States of America|May 10, 2017
Ab initio dynamics and photoionization mass spectrometry reveal ion-molecule pathways from ionized acetylene clusters to benzene cationTamar Stein, Biswajit Bandyopadhyay, Tyler P Troy, et al.Journal of the American Chemical Society|February 26, 2019
Explaining the Incorporation of Oxygen Derived from Solvent Water into the Oxygenated Products of CO Reduction over CuEzra L Clark, Jonathan Wong, Alejandro J Garza, et al.The Journal of Physical Chemistry. A|November 5, 2015
Combined Experimental and Theoretical Study on the Formation of the Elusive 2-Methyl-1-silacycloprop-2-enylidene Molecule under Single Collision Conditions via Reactions of the Silylidyne Radical (SiH; X(2)Π) with Allene (H2CCCH2; X(1)A1) and D4-Allene (D2CCCD2; X(1)A1)Tao Yang, Beni B Dangi, Pavlo Maksyutenko, et al.The Journal of Chemical Physics|October 9, 2020
Accurate prediction of core-level spectra of radicals at density functional theory cost via square gradient minimization and recoupling of mixed configurationsDiptarka Hait, Eric A Haugen, Zheyue Yang, et al.Angewandte Chemie (International Ed. in English)|July 22, 2014
Functionalized graphene as a gatekeeper for chiral molecules: an alternative concept for chiral separationAndreas W Hauser, Narbe Mardirossian, Julien A Panetier, et al.Journal of Chemical Theory and Computation|April 24, 2026
An Improved Size-Consistent Second-Order Brillouin-Wigner Perturbation Theory: Which Desirable Properties Are Compatible with Unconditional Size-Consistency and Optimized Chemical Accuracy?Yao Shen, Zhenling Wang, Linus Bjarne Dittmer, et al.Angewandte Chemie (International Ed. in English)|September 13, 2025
Can Charge Transfer Across C─H⋅⋅⋅O Hydrogen Bonds Stabilize Oil Droplets in Water?Ruoqi Zhao, Hengyuan Shen, R Allen LaCour, et al.Communications Physics|September 16, 2024
Measurement of coherent vibrational dynamics with X-ray Transient Absorption Spectroscopy simultaneously at the Carbon K- and Chlorine L2,3- edgesAndrew D Ross, Diptarka Hait, Valeriu Scutelnic, et al.Angewandte Chemie (International Ed. in English)|August 5, 2026
Reply to the Correspondence on "Can Charge Transfer Across C-H···O Hydrogen Bonds Stabilize Oil Droplets in Water?"Ruoqi Zhao, Hengyuan Shen, R Allen LaCour, et al.Pageof 739