Fast Soluble Carbon-Free Molecular Water Oxidation Catalyst Based on Abundant Metals von Yin, Qiushi, Tan, Jeffrey Miles, Besson, Claire, Geletii, Yurii V, Musaev, Djamaladdin G, Kuznetsov, Aleksey E, Luo, Zhen, Hardcastle, Ken I, Hill, Craig L

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Computational pharmacology and computational chemistry of 4-hydroxyisoleucine: Physicochemical, pharmacokinetic, and DFT-based approaches von Ahmad, Imad, Kuznetsov, Aleksey E, Pirzada, Abdul Saboor, Alsharif, Khalaf F, Daglia, Maria, Khan, Haroon

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Revealing substituent effects on the electronic structure and planarity of Ni-porphyrins von Barbee, Jenna, Kuznetsov, Aleksey E.

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Stacks of Metalloporphyrins: Comparison of Experimental and Computational Results von Kuznetsov, Aleksey E

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Observation of All-Metal Aromatic Molecules von Li, Xi, Kuznetsov, Aleksey E., Zhang, Hai-Feng, Boldyrev, Alexander I., Wang, Lai-Sheng

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All-Metal Antiaromatic Molecule: Rectangular Al₄⁴⁻ in the Li₃Al₄⁻ Anion von Kuznetsov, Aleksey E., Birch, K. Alexander, Boldyrev, Alexander I., Li, Xi, Zhai, Hua-Jin, Wang, Lai-Sheng

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On the Resonance Energy in New All-Metal Aromatic Molecules von Boldyrev, Alexander I, Kuznetsov, Aleksey E

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Reactive molecular dynamics of pyrolysis and combustion of alternative jet fuels: A ReaxFF study von Goncalves, Rene F.B., Iha, Bruno K.V., Rocco, José A.F.F., Kuznetsov, Aleksey E.

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Three Ligands with Biomedical Importance: Binding to Small ZnS Quantum Dots von Balaeff, Alexander, Kuznetsov, Aleksey E

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Structural, optical, and surface morphological studies of ethyl cellulose/graphene oxide nanocomposites von Khichar, Kamal Kumar, Dangi, Suraj Bhan, Dhayal, Vimala, Kumar, Upendra, Hashmi, Sonia Zeba, Sadhu, Veera, Choudhary, Banwari Lal, Kumar, Shalendra, Kaya, Savaş, Kuznetsov, Aleksey E., Dalela, Saurabh, Gupta, Saral K., Alvi, Parvez Ahmad

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Computational Studies of the Geometry and Electronic Structure of an All-Inorganic and Homogeneous Tetra-Ru-Polyoxotungstate Catalyst for Water Oxidation and Its Four Subsequent On... von Quiñonero, David, Kaledin, Alexey L, Kuznetsov, Aleksey E, Geletii, Yurii V, Besson, Claire, Hill, Craig L, Musaev, Djamaladdin G

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Aromatic Mercury Clusters in Ancient Amalgams von Kuznetsov, Aleksey E., Corbett, John D., Wang, Lai-Sheng, Boldyrev, Alexander I.

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Structural and Electronic Properties of Bare and Capped Cd33Se33 and Cd33Te33 Quantum Dots von Kuznetsov, Aleksey E, Beratan, David N

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Computational investigations into the structural and electronic properties of Cd n Te n ( n = 1-17) quantum dots von Imran, Muhammad, Saif, Muhammad Jawwad, Kuznetsov, Aleksey E, Idrees, Nazeran, Iqbal, Javed, Tahir, Asif Ali

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Ultrasound versus Light: Exploring Photophysicochemical and Sonochemical Properties of Phthalocyanine-Based Therapeutics, Theoretical Study, and In Vitro Evaluations von Güzel, Emre, Atmaca, Göknur Yaşa, Kuznetsov, Aleksey E, Turkkol, Aysegul, Bilgin, Mehmet Dincer, Erdoğmuş, Ali

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DFT Investigation of the η 6 ⇌ η 6 -Inter-ring Haptotropic Rearrangement of the Group 8 Metals Complexes [(graphene)MCp] + (M = Fe, Ru, Os) von Gloriozov, Igor P, Dem'yanov, Piotr I, Zhulyaev, Nikolay S, Nechaev, Mikhail S, Oprunenko, Yuri F, Gam, Franck, Saillard, Jean-Yves, Kuznetsov, Aleksey E

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Preparation, Crystal Structure, Supramolecular Assembly, and DFT Studies of Two Organic Salts Bearing Pyridine and Pyrimidine von Malik, Abida Naseem, Tahir, Muhammad Nawaz, Ali, Akbar, Ashfaq, Muhammad, Ibrahim, Muhammad, Kuznetsov, Aleksey E., Assiri, Mohammed A., Sameeh, Manal Y.

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Dioxygen and Water Activation Processes on Multi-Ru-Substituted Polyoxometalates: Comparison with the “Blue-Dimer” Water Oxidation Catalyst von Kuznetsov, Aleksey E, Geletii, Yurii V, Hill, Craig L, Morokuma, Keiji, Musaev, Djamaladdin G

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DFT Investigation of the η(6) ⇌ η(6)-Inter-ring Haptotropic Rearrangement of the Group 8 Metals Complexes [(graphene)MCp](+) (M = Fe, Ru, Os) von Gloriozov, Igor P, Dem’yanov, Piotr I, Zhulyaev, Nikolay S, Nechaev, Mikhail S, Oprunenko, Yuri F, Gam, Franck, Saillard, Jean-Yves, Kuznetsov, Aleksey E

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DFT Investigation of the η6 ⇌ η6-Inter-ring Haptotropic Rearrangement of the Group 8 Metals Complexes [(graphene)MCp]+ (M = Fe, Ru, Os) von Gloriozov, Igor P, Dem'yanov, Piotr I, Zhulyaev, Nikolay S, Nechaev, Mikhail S, Oprunenko, Yuri F, Gam, Franck, Saillard, Jean-Yves, Kuznetsov, Aleksey E

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