Keyword Connections

quantum chemical calculation

Journals

1

1 turkish journal of chemistry

Research Groups

0

No Research Group Connected

Bibliographies

12

1 Tribological behavior and quantum chemical calculations of protic ionic liquids: synthesis, spectroscopic, and thermal properties

2 Tribological behavior and quantum chemical calculations of protic ionic liquids: synthesis, spectroscopic, and thermal properties

3 Quantum chemical calculations, physico-chemical characterizations and crystal structural analysis of a new organic - hydrogen bond networked crystal, 2-aminothiazolium benzilate

4 Crystal growth, structural, optical, vibrational analysis, Hirshfeld surface and quantum chemical calculations of 1, 3, 5-triphenylbenzene single crystal

5 Molecular analyses using FT-IR, FT-Raman and UV spectral investigation; quantum chemical calculations of dimethyl phthalate

6 Untangling Hydrogen Bond Networks with Ion Mobility Spectrometry and Quantum Chemical Calculations: A Case Study on HXPGG.

7 ExcelAutomat: a tool for systematic processing of files as applied to quantum chemical calculations.

8 Nitrofurantoin-melamine monohydrate (cocrystal hydrate): Probing the role of H-bonding on the structure and properties using quantum chemical calculations and vibrational spectroscopy.

9 Structural characterization, quantum chemical calculations and Hirshfeld surface analysis of a new third order harmonic organic crystal: 2-Amino-4-methylpyridinium benzilate

10 quantum chemical calculations and spectroscopic measurements of spectroscopic and thermodynamic properties of given uranyl complexes in aqueous solutions with possible environmental and industrial applications

11 molecular structure of phenytoin: nmr, uv-vis and quantum chemical calculations

12 Zinc complexes with 1-(1H-benzimidazol-1-ylmethyl)-1H-benzotriazole: the structure, quantum chemical calculations, and luminescence properties