Oxyphor 2P: A High-Performance Probe for Deep-Tissue Longitudinal Oxygen Imaging von Esipova, Tatiana V., Barrett, Matthew J.P., Erlebach, Eva, Masunov, Artëm E., Weber, Bruno, Vinogradov, Sergei A.

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Covalent Organic Frameworks in Computational Design of Second-Harmonic Generation Materials: Role of Tetrel Atoms and Their Interactions von Yushina, Irina D., Masunov, Artëm E., Bartashevich, Ekaterina V.

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Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability von Suponitsky, Kyrill Yu, Tafur, Sergio, Masunov, Artëm E

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Comparison of TD-DFT Methods for the Calculation of Two-Photon Absorption Spectra of Oligophenylvinylenes von Nayyar, Iffat H, Masunov, Artëm E, Tretiak, Sergei

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Shock Tube/Laser Absorption and Kinetic Modeling Study of Triethyl Phosphate Combustion von Neupane, Sneha, Barnes, Frank, Barak, Samuel, Ninnemann, Erik, Loparo, Zachary, Masunov, Artëm E, Vasu, Subith S

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Structure and properties of cerium oxides in bulk and nanoparticulate forms von Gangopadhyay, Shruba, Frolov, Dmitry D., Masunov, Artëm E., Seal, Sudipta

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Electronic Hyperpolarizabilities for Donor−Acceptor Molecules with Long Conjugated Bridges: Calculations versus Experiment von Suponitsky, Kyrill Yu, Liao, Yi, Masunov, Artëm E

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Chemical Reaction CO+OH• → CO2+H• Autocatalyzed by Carbon Dioxide: Quantum Chemical Study of the Potential Energy Surfaces von Masunov, Artëm E., Wait, Elizabeth, Vasu, Subith S.

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Pseudocyclic Form of 4‑Hydroxypyrrolidine-2-carboxanilide Podands with Trioxyethylene Chain: Modeling, Conformational Search, and NMR Analysis von Borodina, Olga, Ovchinnikova, Irina, Makarov, Gennady, Yeltsov, Oleg, Titova, Yulia, Fedorova, Olga, Masunov, Artëm E, Bartashevich, Ekaterina

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Theoretical Calculation of Reaction Rates and Combustion Kinetic Modeling Study of Triethyl Phosphate (TEP) von Neupane, Sneha, Rahman, Ramees K, Masunov, Artëm E, Vasu, Subith S

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Unexpected polarization properties of sub-nanosized magnesium clusters von Ignatov, Stanislav K, Masunov, Artëm E

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Quantum Chemical Study of the Initial Step of Ozone Addition to the Double Bond of Ethylene von Gadzhiev, Oleg B, Ignatov, Stanislav K, Krisyuk, Boris E, Maiorov, Alexey V, Gangopadhyay, Shruba, Masunov, Artëm E

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Quantitative Comparison of Structural and Mechanical Properties of 6‑Chloro-2,4-dinitroaniline Polymorphs von Matveychuk, Yury V., Yurchenko, Artem S., Masunov, Artëm E., Bartashevich, Ekaterina V.

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Two-Photon Absorbing Phosphorescent Metalloporphyrins: Effects of π‑Extension and Peripheral Substitution von Esipova, Tatiana V, Rivera-Jacquez, Héctor J, Weber, Bruno, Masunov, Artëm E, Vinogradov, Sergei A

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Three-Photon Spectroscopy of Porphyrins von Ravotto, Luca, Meloni, Stephen L, Esipova, Tatiana V, Masunov, Artëm E, Anna, Jessica M, Vinogradov, Sergei A

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How Many Isomers Do Metallic Clusters Have? Case of Magnesium Clusters of up to 55 Atoms von Ignatov, Stanislav K, Belyaev, Sergey N, Panteleev, Sergey V, Masunov, Artëm E

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High temperature shock tube experiments and kinetic modeling study of diisopropyl ketone ignition and pyrolysis von Barari, Ghazal, Pryor, Owen, Koroglu, Batikan, Sarathy, S. Mani, Masunov, Artëm E., Vasu, Subith S.

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Symmetry-Breaking in Cationic Polymethine Dyes: Part 2. Shape of Electronic Absorption Bands Explained by the Thermal Fluctuations of the Solvent Reaction Field von Masunov, Artëm E, Anderson, Dane, Freidzon, Alexandra Ya, Bagaturyants, Alexander A

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Phosphate ester hydrolysis of biologically relevant molecules by cerium oxide nanoparticles von Kuchma, Melissa Hirsch, PhD, Komanski, Christopher B., BS, Colon, Jimmie, MS, Teblum, Andrew, BS, Masunov, Artëm E., PhD, Alvarado, Beatrice, MS, Babu, Suresh, PhD, Seal, Sudipta, PhD, Summy, Justin, PhD, Baker, Cheryl H., PhD

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Global Structure Optimization of Pt Clusters Based on the Modified Empirical Potentials, Calibrated using Density Functional Theory von Ignatov, Stanislav K, Razuvaev, Alexey G, Loginova, Anastasiia S, Masunov, Artëm E

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