Nonempirical Modeling of Interactions of Fe2O2 and Fe2O4 Clusters with H2 and O2 Molecules

Spin-Dependent Interactions of Fe2On Clusters with H2 and O2 Molecules

(2022) K. V. Bozhenko et al.   RUSSIAN JOURNAL OF INORGANIC CHEMISTRY

A stable low-temperature H2-production catalyst by crowding Pt on α-MoC

(2021) Xiao Zhang et al.   NATURE

Single-Atom (Iron-Based) Catalysts: Synthesis and Applications

(2021) Baljeet Singh et al.   CHEMICAL REVIEWS

Transition metal ‘cocktail’-type catalysis

(2021) Darya O. Prima et al.   Current Opinion in Green and Sustainable Chemistry

The microscopic origin of spin-orbit mediated spin-flips

(2020) P. Elliott et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Mechanism of transition metal cluster catalysts for hydrogen evolution reaction

(2020) Shasha Yang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Effect of hydrogenation on the structure and magnetic properties of an iron oxide cluster

(2018) G. L. Gutsev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hydrogenation of 3 d ‐Metal Oxide Clusters: Effects on the Structure and Magnetic Properties

(2018) G. L. Gutsev et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Theranostic multimodal potential of magnetic nanoparticles actuated by non-heating low frequency magnetic field in the new-generation nanomedicine

(2017) Yuri I. Golovin et al.   JOURNAL OF NANOPARTICLE RESEARCH

High-resolution photoelectron imaging spectroscopy of cryogenically cooled Fe4O− and Fe5O−

(2016) Marissa L. Weichman et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmark Calculations of Energetic Properties of Groups 4 and 6 Transition Metal Oxide Nanoclusters Including Comparison to Density Functional Theory

(2016) Zongtang Fang et al.   Journal of Chemical Theory and Computation

Structure and properties of iron oxide clusters: From Fe6to Fe6O20and from Fe7to Fe7O24

(2016) Gennady L. Gutsev et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A comparative study of small 3d-metal oxide (FeO)n, (CoO)n, and (NiO)n clusters

(2016) G. L. Gutsev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Computational studies of the Ca12O12, Ti12O12, Fe12O12 and Zn12O12 nanocage clusters

(2015) Osmair Vital de Oliveira et al.   CHEMICAL PHYSICS LETTERS

Quantum Mechanical Studies of Large Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles and Clusters

(2015) Amendra Fernando et al.   CHEMICAL REVIEWS

Iron Oxide Based Nanoparticles for Multimodal Imaging and Magnetoresponsive Therapy

(2015) Nohyun Lee et al.   CHEMICAL REVIEWS

Geometric, electronic, and magnetic structure ofFexOy+clusters

(2015) R. Logemann et al.   PHYSICAL REVIEW B

Magnetic Nanoparticles in Cancer Theranostics

(2015) Oliviero L. Gobbo et al.   Theranostics

Catalytic C–C and C–Heteroatom Bond Formation Reactions: In Situ Generated or Preformed Catalysts? Complicated Mechanistic Picture Behind Well-Known Experimental Procedures

(2013) Alexey S. Kashin et al.   JOURNAL OF ORGANIC CHEMISTRY

Competition between surface chemisorption and cage formation in Fe12O12 clusters

(2012) G.L. Gutsev et al.   CHEMICAL PHYSICS LETTERS

A systematic study of neutral and charged 3d-metal trioxides and tetraoxides

(2011) Kalpataru Pradhan et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Structures, Acid−Base Properties, and Formation of Group 6 Transition Metal Hydroxides

(2011) Shenggang Li et al.   Journal of Physical Chemistry C

Tests of the RPBE, revPBE, τ-HCTHhyb, ωB97X-D, and MOHLYP density functional approximations and 29 others against representative databases for diverse bond energies and barrier heights in catalysis

(2010) Ke Yang et al.   JOURNAL OF CHEMICAL PHYSICS

Magnetic moment and local moment alignment in anionic and/or oxidized Fen clusters

(2010) D. R. Roy et al.   JOURNAL OF CHEMICAL PHYSICS

Structural, electronic, and magnetic properties of nanometer-sized iron-oxide atomic clusters: Comparison between GGA andGGA+Uapproaches

(2010) Krisztián Palotás et al.   PHYSICAL REVIEW B

Spectroscopic and Theoretical Studies of Transition Metal Oxides and Dioxygen Complexes

(2009) Yu Gong et al.   CHEMICAL REVIEWS

Investigation of the reactions of small neutral iron oxide clusters with methanol

(2009) Yan Xie et al.   JOURNAL OF CHEMICAL PHYSICS

Structural and Electronic Properties of Reduced Transition Metal Oxide Clusters, M3O8and M3O8−(M = Cr, W), from Photoelectron Spectroscopy and Quantum Chemical Calculations

(2009) Shenggang Li et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ground State Structures of Fe2O4−6+Clusters Probed by Reactions with N2

(2009) Wei Xue et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Accurate Thermochemistry for Transition Metal Oxide Clusters

(2009) Shenggang Li et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structure and electronic properties of iron oxide clusters: A first-principles study

(2009) Sinhué López et al.   PHYSICAL REVIEW B

Ground and low-lying excitedC2vstates of FeO2-A challenge to computational methods

(2008) Friedrich Grein   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Photodissociation of Iron Oxide Cluster Cations†

(2008) K. S. Molek et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Molecular Structures and Energetics of the (TiO2)n(n= 1−4) Clusters and Their Anions

(2008) Shenggang Li et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Experimental and Theoretical Study of the Reactions between Small Neutral Iron Oxide Clusters and Carbon Monoxide

(2008) Wei Xue et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Probing the Electronic and Structural Properties of Chromium Oxide Clusters (CrO3)n−and (CrO3)n(n= 1–5): Photoelectron Spectroscopy and Density Functional Calculations

(2008) Hua-Jin Zhai et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY