Found: 19
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Density functional theory study of the Jahn--Teller effect in cobaltocene.
- Published in:
- Pure & Applied Chemistry, 2009, v. 81, n. 8, p. 1397, doi. 10.1351/PAC-CON-08-06-04
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- Article
4-AMINOQUINIOLINES AS REVERSIBLE INHIBITORS OF HUMAN CHOLINESTERASE ACTIVITY.
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- Military Medical Science Letters / Vojenské zdravotnické Listy, 2018, v. 87, p. 83
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- Article
Correlating Structure and KA<sup>2</sup> Catalytic Activity of Zn<sup>II</sup> Hydrazone Complexes.
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- European Journal of Inorganic Chemistry, 2023, v. 26, n. 33, p. 1, doi. 10.1002/ejic.202300193
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- Article
Density functional theory study of the multimode Jahn-Teller problem in the fullerene anion.
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- International Journal of Quantum Chemistry, 2013, v. 113, n. 6, p. 802, doi. 10.1002/qua.24080
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- Article
The choice of the exchange-correlation functional for the determination of the jahn-teller parameters by the density functional theory.
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- International Journal of Quantum Chemistry, 2013, v. 113, n. 6, p. 859, doi. 10.1002/qua.24245
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- Article
Experimental and Theoretical Identification of the Origin of Magnetic Anisotropy in Intermediate Spin Iron(III) Complexes.
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- Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5091, doi. 10.1002/chem.201705989
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- Article
New rhodium(III)-ED3AP complex: Crystal structure, characterization and computational chemistry.
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- Journal of the Serbian Chemical Society, 2022, v. 87, n. 5, p. 561, doi. 10.2298/JSC211230003R
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- Publication type:
- Article
Assessment of density functional approximations for calculation of exchange coupling constants in thiocyanato and cyanato double bridged binuclear Ni(II) complexes.
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- Journal of the Serbian Chemical Society, 2020, v. 85, n. 12, p. 1577, doi. 10.2298/JSC201106071Z
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- Publication type:
- Article
Synthesis, X-ray structure and DFT calculation of magnetic properties of binuclear Ni(II) complex with tridentate hydrazone-based ligand.
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- Journal of the Serbian Chemical Society, 2020, v. 85, n. 10, p. 1279, doi. 10.2298/JSC200625038K
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- Article
Calculation of the Jahn-Teller parameters with DFT.
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- Journal of the Serbian Chemical Society, 2019, v. 84, n. 8, p. 779, doi. 10.2298/JSC190510064Z
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- Article
Density functional theory calculation of lipophilicity for organophosphate type pesticides.
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- Journal of the Serbian Chemical Society, 2017, v. 82, n. 12, p. 1369, doi. 10.2298/JSC170725104V
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- Publication type:
- Article
Nucleus-independent chemical shift profiles along the intrinsic distortion path for Jahn-Teller active molecules. Study on the cyclopentadienyl radical and cobaltocene.
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- Journal of the Serbian Chemical Society, 2015, v. 80, n. 7, p. 877, doi. 10.2298/JSC141107025A
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- Article
Consistent force field for metalloporphyrins.
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- Journal of the Serbian Chemical Society, 2010, v. 75, n. 12, p. 1671, doi. 10.2298/JSC100701095A
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- Article
Consistent Force Field for metalloporphyrins.
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- Journal of the Serbian Chemical Society, 2010, v. 75, n. 7, p. 1
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- Article
What is the nature of bonding in [Fe(CO)3(NO)]− and [Fe(CO)4]2−?
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 7, p. 1, doi. 10.1007/s00214-020-02639-3
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- Publication type:
- Article
Magnetic Anisotropy in 'Scorpionate' First-Row Transition-Metal Complexes: A Theoretical Investigation.
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- Chemistry - A European Journal, 2015, v. 21, n. 9, p. 3716, doi. 10.1002/chem.201405480
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- Article
Benchmarking Density Functional Tight Binding Models for Barrier Heights and Reaction Energetics of Organic Molecules.
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- Journal of Computational Chemistry, 2017, v. 38, n. 25, p. 2171, doi. 10.1002/jcc.24866
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- Article
Lipophilicity assessment of ruthenium(II)-arene complexes by the means of reversed-phase thin-layer chromatography and DFT calculations.
- Published in:
- 2014
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- Publication type:
- journal article
Lipophilicity Assessment of Ruthenium(II)-Arene Complexes by the Means of Reversed-Phase Thin-Layer Chromatography and DFT Calculations.
- Published in:
- Scientific World Journal, 2014, p. 1, doi. 10.1155/2014/862796
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- Publication type:
- Article