Works matching AU Voloshina, Elena
Results: 26
An attempt to determine the absolute configuration of two ascolactone stereoisomers with time-dependent density functional theory.
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- Chirality, 2006, v. 18, n. 6, p. 413, doi. 10.1002/chir.20266
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- Article
On the application of the incremental scheme to ionic solids: test of different embeddings.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2005, v. 114, n. 4/5, p. 259, doi. 10.1007/s00214-005-0689-1
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- Article
Ab initio investigation of ground-state properties of group-12 fluorides.
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- International Journal of Quantum Chemistry, 2014, v. 114, n. 14, p. 943, doi. 10.1002/qua.24695
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- Article
XPS Analysis of Fe<sub>x</sub>Ni<sub>y</sub>PS<sub>3</sub> vdW Materials Used in the Hydrogen Evolution Processes.
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- ChemPhysChem, 2024, v. 25, n. 12, p. 1, doi. 10.1002/cphc.202400039
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- Article
Electronic and Magnetic Properties of The Graphene/RE/Ni(111) (RE: La, Yb) Intercalation‐Like Interfaces: A DFT Analysis.
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- Advanced Theory & Simulations, 2022, v. 5, n. 6, p. 1, doi. 10.1002/adts.202100621
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- Article
Modification of the Magnetic and Electronic Properties of the Graphene‐Ni(111) Interface via Halogens Intercalation.
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- Advanced Theory & Simulations, 2022, v. 5, n. 1, p. 1, doi. 10.1002/adts.202100319
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- Article
Adsorption of Water Molecules on Pristine and Defective NiPX<sub>3</sub> (X: S, Se) Monolayers.
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- Advanced Theory & Simulations, 2021, v. 4, n. 11, p. 1, doi. 10.1002/adts.202100182
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- Article
Dirac Fermions in Half‐Metallic Ferromagnetic Mixed Cr1−xM<sub>x</sub>PSe<sub>3</sub> Monolayers.
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- Advanced Theory & Simulations, 2020, v. 3, n. 12, p. 1, doi. 10.1002/adts.202000228
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- Article
Second Floor of Flatland: Epitaxial Growth of Graphene on Hexagonal Boron Nitride (Small 36/2021).
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- Small, 2021, v. 17, n. 36, p. 1, doi. 10.1002/smll.202170188
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- Article
Second Floor of Flatland: Epitaxial Growth of Graphene on Hexagonal Boron Nitride.
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- Small, 2021, v. 17, n. 36, p. 1, doi. 10.1002/smll.202102747
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- Article
Layer‐by‐Layer Decoupling of Twisted Graphene Sheets Epitaxially Grown on a Metal Substrate.
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- Small, 2018, v. 14, n. 13, p. 1, doi. 10.1002/smll.201703701
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- Article
Mott–Hubbard insulating state for the layered van der Waals FePX3 (X: S, Se) as revealed by NEXAFS and resonant photoelectron spectroscopy.
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- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-021-04557-1
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- Article
Scanning probe microscopy and spectroscopy of graphene on metals (Phys. Status Solidi B 3/2015).
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- 2015
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- Other
Scanning probe microscopy and spectroscopy of graphene on metals.
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- Physica Status Solidi (B), 2015, v. 252, n. 3, p. 451, doi. 10.1002/pssb.201451466
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- Article
Structural and electronic properties of graphene nanoflakes on Au(111) and Ag(111).
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- Scientific Reports, 2016, p. 23439, doi. 10.1038/srep23439
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- Article
Restoring a nearly free-standing character of graphene on Ru(0001) by oxygen intercalation.
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- Scientific Reports, 2016, p. 20285, doi. 10.1038/srep20285
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- Article
Adsorption of multivalent alkylthiols on Au(111) surface: Insights from DFT.
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- Journal of Computational Chemistry, 2014, v. 35, n. 3, p. 204, doi. 10.1002/jcc.23484
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- Article
Accurate quantum-chemical description of gold complexes with pyridine and its derivatives.
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- Journal of Computational Chemistry, 2011, v. 32, n. 9, p. 1839, doi. 10.1002/jcc.21765
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- Article
Cohesive properties of CeN and LaN from first principles.
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- Journal of Computational Chemistry, 2008, v. 29, n. 13, p. 2107, doi. 10.1002/jcc.20991
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- Article
Easy Approach to Graphene Growth on Ir(111) and Ru(0001) from Liquid Ethanol.
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- Advanced Materials Interfaces, 2023, v. 10, n. 32, p. 1, doi. 10.1002/admi.202300468
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- Article
DOSE-DEPENDENT EFFECTS OF PYRAZINAMIDE ON LIVER CYTOCHROME P-450 2E1.
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- Acta Toxicologica, 2007, v. 15, n. 2, p. 149
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- Article
Determination of the absolute configuration of calliactine by quantum chemical calculations.
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- International Journal of Quantum Chemistry, 2004, v. 100, n. 6, p. 1104, doi. 10.1002/qua.20298
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- Article
Conformational Analysis and CD Calculations of Methyl-Substituted 13-Tridecano-13-lactones.
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- Helvetica Chimica Acta, 2005, v. 88, n. 2, p. 194
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- Article
Intercalation of Mn in graphene/Cu(111) interface: insights to the electronic and magnetic properties from theory.
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- Scientific Reports, 2020, v. 10, n. 1, p. 1, doi. 10.1038/s41598-020-78583-w
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- Article
Structure and Electronic Properties of SrTiO<sub>3</sub>–TiO<sub>2</sub> Eutectic for Water Splitting Applications.
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- Advanced Energy & Sustainability Research, 2023, v. 4, n. 11, p. 1, doi. 10.1002/aesr.202300136
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- Article
First Asymmetric Synthesis and Determination of the Absolute Configuration of a Lignan Isolated from Virola sebifera.
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- European Journal of Organic Chemistry, 2005, v. 2005, n. 10, p. 1984, doi. 10.1002/ejoc.200400885
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- Article