Jemmis ED - Search Results

1

A theoretical analysis of the structure and properties of B₂₆H₃₀ isomers. Consequences to the laser and semiconductor doping capabilities of large borane clusters.

Macháček J , Francés-Monerris A , Karmodak N , Roca-Sanjuán D , Fanfrlík J , Londesborough MGS , Hnyk D , Jemmis ED . Macháček J , et al. Among authors: jemmis ed. Phys Chem Chem Phys. 2019 Jun 28;21(24):12916-12923. doi: 10.1039/c9cp02371b. Epub 2019 Jun 5. Phys Chem Chem Phys. 2019. PMID: 31165130

2

Exohedral Complexation of B₄₀ , C₆₀ and Arenes with Transition Metals: A Comparative DFT Study.

Karmodak N, Jemmis ED. Karmodak N, et al. Among authors: jemmis ed. Chem Asian J. 2016 Dec 6;11(23):3350-3354. doi: 10.1002/asia.201601301. Epub 2016 Nov 8. Chem Asian J. 2016. PMID: 27860450

3

The Role of Holes in Borophenes: An Ab Initio Study of Their Structure and Stability with and without Metal Templates.

Karmodak N, Jemmis ED. Karmodak N, et al. Among authors: jemmis ed. Angew Chem Int Ed Engl. 2017 Aug 14;56(34):10093-10097. doi: 10.1002/anie.201610584. Epub 2017 Jan 27. Angew Chem Int Ed Engl. 2017. PMID: 28128490

4

Nanoisozymes: Crystal-Facet-Dependent Enzyme-Mimetic Activity of V₂ O₅ Nanomaterials.

Ghosh S, Roy P, Karmodak N, Jemmis ED, Mugesh G. Ghosh S, et al. Among authors: jemmis ed. Angew Chem Int Ed Engl. 2018 Apr 16;57(17):4510-4515. doi: 10.1002/anie.201800681. Epub 2018 Feb 28. Angew Chem Int Ed Engl. 2018. PMID: 29424075

5

Overlap of Radial Dangling Orbitals Controls the Relative Stabilities of Polyhedral B _nH _{n- x} Isomers ( n = 5-12, x = 0 to n - 1).

Karmodak N, Chaliha R, Jemmis ED. Karmodak N, et al. Among authors: jemmis ed. Inorg Chem. 2019 Mar 18;58(6):3627-3634. doi: 10.1021/acs.inorgchem.8b02986. Epub 2019 Feb 27. Inorg Chem. 2019. PMID: 30810302

6

Structure and bonding in cyclic isomers of B2AlH(n)(m) (n = 3-6, m = -2 to +1): a comparative study with B3H(n)(m), BAl2H(n)(m) and Al3H(n)(m).

Mallick D, Parameswaran P, Jemmis ED. Mallick D, et al. Among authors: jemmis ed. J Phys Chem A. 2008 Dec 18;112(50):13080-7. doi: 10.1021/jp803894t. J Phys Chem A. 2008. PMID: 18939784

7

Halogen bond shortens and strengthens the bridge bond of [1.1.1]propellane and the open form of [2.2.2]propellane.

Joy J , Akhil E , Jemmis ED . Joy J , et al. Among authors: jemmis ed. Phys Chem Chem Phys. 2018 Oct 17;20(40):25792-25798. doi: 10.1039/c8cp05125a. Phys Chem Chem Phys. 2018. PMID: 30283928

8

Comparison of RNC Coupling and CO Coupling Mediated by Cr-Cr Quintuple Bond and B-B Multiple Bonds: Main Group Metallomimetics.

Ghorai S, Meena R, Joseph AP, Jemmis ED. Ghorai S, et al. Among authors: jemmis ed. J Phys Chem A. 2021 Aug 26;125(33):7207-7216. doi: 10.1021/acs.jpca.1c05185. Epub 2021 Aug 17. J Phys Chem A. 2021. PMID: 34402622

9

From a Möbius-aromatic interlocked Mn₂B₁₀H₁₀ wheel to the metal-doped boranaphthalenes M₂@B₁₀H₈ and M₂B₅ 2D-sheets (M = Mn and Fe): a molecules to materials continuum using DFT studies.

Ghorai S, Jemmis ED. Ghorai S, et al. Among authors: jemmis ed. Chem Sci. 2022 Jun 27;13(31):8968-8978. doi: 10.1039/d2sc02244c. eCollection 2022 Aug 10. Chem Sci. 2022. PMID: 36091213 Free PMC article.

10

Lewis Acid Stabilized Diatomic Molecules of Group 14: A Computational Study on [(CO)₄Fe]₂E₂ (E = C, Si, Ge, Sn, Pb).

Kumar S, Parameswaran P, Jana A, Jemmis ED. Kumar S, et al. Among authors: jemmis ed. J Phys Chem A. 2023 Nov 16;127(45):9442-9450. doi: 10.1021/acs.jpca.3c04376. Epub 2023 Nov 6. J Phys Chem A. 2023. PMID: 37931177

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