0000-0001-8173-6973 Employment
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Publications (9)
- Growth behavior and electronic structure of neutral and anion ZrGen (n= 1–21) clusters Save
- Growth behavior, electronic structure, and vibrational properties of SiY anion clusters (4–20): Metal atom as linker and endohedral dopant Save
- Interaction of a carbon atom on small platinum clusters and its effects on hydrogen binding Save
- Ab initio determination of geometries and vibrational characteristics of building blocks of organic superconductors: 4,5-Ethylenedithio-1,3-dithiole-2-thione, and 4,5-ethylenedithio-1,3-dithiole-2-one Save
- Ab initio studies of molecular structures, conformers and vibrational spectra of heterocyclic organics: I. Nicotinamide and its N-oxide Save
- DFT study of molecular geometries and vibrational characteristics of uracil and its thio-derivatives and their radical cations Save
- ENERGETICS AND STRUCTURAL INSIGHTS OF MOLECULAR CONDUCTORS USING DENSITY FUNCTIONAL THEORY METHODS: 1,3-DITHIOLE-2-THIONE, 1,3-DITHIOLE-2-ONE, 1,3-DIOXOLE-2-ONE, AND 1,3-DIOXOLE-2-THIONE Save
- Structural and vibrational studies of molecular conductors using quantum mechanical methods: 1,3-Dithiole-2-thione, 1,3-dithiole-2-one, 1,3-dioxole-2-one and 1,3-dioxole-2-thione Save
- Ab initio determination of molecular geometries and vibrational frequencies of CX3 COOH (X= H, F, Cl, Br) Save