Correlation between asymmetric profiles in slits and standard prewetting lines by Leszek Szybisz, Salvador A. Sartarelli

Subjects: “…Density functional calculations…”
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Unconventional oxygen reduction reaction mechanism and scaling relation on single-atom catalysts by Zhong, Lixiang, Li, Shuzhou

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Engineering Magnetic Anisotropy of Rhenium Atom in Nitrogenized Divacancy of Graphene by Honglei Liu, Guangtian Ji, Pingji Ge, Guixian Ge, Xiaodong Yang, Jinli Zhang

Subjects: “…density functional calculations…”
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A Systemic Insight into Exohedral Actinides and Endohedral Borospherenes: An&B_m and An@B_n (An=U, Np, Pu; m = 28, 32, 34, 36, 38, 40; n = 36, 38, 40) by Peng Li, Jingbo Wei, Hao Wei, Kerong Wang, Jizhou Wu, Yuqing Li, Wenliang Liu, Yongming Fu, Feng Xie, Jie Ma

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Determining addition pathways and stable isomers for CF3 functionalization of endohedral Gd@C60 by Chris Ewels, Jeremy Rio, Hiroyuki Niwa, Haruka Omachi, Hisanori Shinohara, Mark Rayson, Patrick Briddon

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On the stereoselectivity of the cross metathesis of olefins catalyzed by a second-generation catalyst by J. Pablo Martínez, Bartosz Trzaskowski

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Theoretical analysis of the mechanism and regioselectivity of the 1, 3-dipolar cycloaddition of E-3-(dimethylamino)-1-(10H-phenothiazin-2-yl)prop-2-en-1-one with some nitrilimines... by Farid Moeinpour, Amir Khojastehnezhad

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Hydride affinities of cationic maingroup-element hydrides across the periodic table by Eva Blokker, Caroline G.T. Groen, J. Martijn van der Schuur, Auke G. Talma, F. Matthias Bickelhaupt

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Chromatographically separable rotamers of an unhindered amide by Mario Geffe, Lars Andernach, Oliver Trapp, Till Opatz

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An endergonic synthesis of single Sondheimer–Wong diyne by local probe chemistry by Kawai, Shigeki, Sang, Hongqian, Kantorovich, Lev, Takahashi, Keisuke, Nozaki, Kyoko, Ito, Shingo

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Tandem dinucleophilic cyclization of cyclohexane-1,3-diones with pyridinium salts by Mostafa Kiamehr, Firouz Matloubi Moghaddam, Satenik Mkrtchyan, Volodymyr Semeniuchenko, Linda Supe, Alexander Villinger, Peter Langer, Viktor O. Iaroshenko

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A Plausible Mechanism for the Iridium-Catalyzed Hydrogenation of a Bulky <i>N</i>-Aryl Imine in the (<i>S</i>)-Metolachlor Process by Amanda L. Kwan, Robert H. Morris

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Double catalytic effect of (PhNH3)2CuCl4 in a novel, highly efficient synthesis of 2-oxo and thioxo-1,2,3,4-tetra-hydopyrimidines by Janković Nenad, Bugarčić Zorica, Marković Svetlana

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Isolation and structure determination of missing fullerenes Gd@C74(CF3)n through in situ trifluoromethylation by Ayano Nakagawa, Shinobu Aoyagi, Haruka Omachi, Katsuma Ishino, Makiko Nishino, Jeremy Rio, Chris Ewels, Hisanori Shinohara

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Roles of Lewis Acid Catalysts in Diels‐Alder Reactions between Cyclopentadiene and Methyl Acrylate by Prof. Ken Sakata, Prof. Emeritus Dr. Hiroshi Fujimoto

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A Benchmark of Density Functional Approximations For Thermochemistry and Kinetics of Hydride Reductions of Cyclohexanones by Xavier Deraet, Tatiana Woller, Ruben Van Lommel, Prof. Frank De Proft, Prof. Guido Verniest, Prof. Mercedes Alonso

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Grain Boundary—A Route to Enhance Electrocatalytic Activity for Hydrogen Evolution Reaction by Ran Jiang, Jianyu Fu, Zhaoyang Wang, Cunku Dong

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Au⋅⋅⋅H−X (X=N or C) Intramolecular Interactions in Gold (I)‐NHC Carbene Complexes with Potential Anticancer Properties: A Quantum Mechanical Study with Two Basis Sets by Prof. Maria Benavides, Elizabeth Granda

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1,2,3,4-Tetrahydro-1,4,5,8-tetraazaanthracene revisited: properties and structural evidence of aromaticity loss by Arnault Heynderickx, Sébastien Nénon, Olivier Siri, Vladimir Lokshin, Vladimir Khodorkovsky

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Electrochromic 2,5‐Dihydroxyterephthalic Acid Linker in Metal−Organic Frameworks by Hidetsugu Shiozawa, Zuzana Melnikova, Zdenek Bastl, Herwig Peterlik, Martin Kalbac, Otakar Frank

Subjects: “…density functional calculations…”
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