Density Functional Theory (DFT) with B3LYP hybrid exchange-correlation functional and 3-21G basis set and semi-empirical methods (PM3) were used to calculate the energies (total energy, binding energy (Eb), molecular orbital energy (EHOMO-ELUMO), heat of formation (?Hf)) and vibrational spectra for some Tellurium (IV) compounds containing cycloctadienyl group which can use as ligands with some transition metals or essential metals of periodic table at optimized geometrical structures
Dichalcogenido-imidodiphosphinates, [N(PR2E)(2)](-) (R = alkyl, aryl), are chelating ligands that re...
Dichalcogenido-imidodiphosphinates, [N(PR2E)(2)](-) (R = alkyl, aryl), are chelating ligands that re...
Dichalcogenido-imidodiphosphinates, [N(PR2E)(2)](-) (R = alkyl, aryl), are chelating ligands that re...
Density Functional Theory (DFT) with B3LYP hybrid exchange-correlation functional and 3-21G basis se...
Density functional theory (DFT) and ab initio calculations, including spin–orbit coupling (SOC), wer...
On the basis of the most recently reported spectroscopic data on vibrational modes in TeCl4 and stru...
On the basis of the most recently reported spectroscopic data on vibrational modes in TeCl4 and stru...
On the basis of the most recently reported spectroscopic data on vibrational modes in TeCl4 and stru...
<p>DFT and MP2 calculations were used to determine the nature of non-covalent tellurium–π interactio...
In this work, ab initio Density Functional Theory calculations are performed to investigate the evol...
In this work, ab initio Density Functional Theory calculations are performed to investigate the evol...
The hydrolysis of tBuNTe(μ-NtBu)2TeNtBu (1) with 1 or 2 equiv of (C6F5)3B·H2O results in the success...
Metal-based compounds play a fundamental role in inorganic medicinal chemistry and the most import...
Metal-based compounds play a fundamental role in inorganic medicinal chemistry and the most import...
Dichalcogenido-imidodiphosphinates, [N(PR2E)(2)](-) (R = alkyl, aryl), are chelating ligands that re...
Dichalcogenido-imidodiphosphinates, [N(PR2E)(2)](-) (R = alkyl, aryl), are chelating ligands that re...
Dichalcogenido-imidodiphosphinates, [N(PR2E)(2)](-) (R = alkyl, aryl), are chelating ligands that re...
Dichalcogenido-imidodiphosphinates, [N(PR2E)(2)](-) (R = alkyl, aryl), are chelating ligands that re...
Density Functional Theory (DFT) with B3LYP hybrid exchange-correlation functional and 3-21G basis se...
Density functional theory (DFT) and ab initio calculations, including spin–orbit coupling (SOC), wer...
On the basis of the most recently reported spectroscopic data on vibrational modes in TeCl4 and stru...
On the basis of the most recently reported spectroscopic data on vibrational modes in TeCl4 and stru...
On the basis of the most recently reported spectroscopic data on vibrational modes in TeCl4 and stru...
<p>DFT and MP2 calculations were used to determine the nature of non-covalent tellurium–π interactio...
In this work, ab initio Density Functional Theory calculations are performed to investigate the evol...
In this work, ab initio Density Functional Theory calculations are performed to investigate the evol...
The hydrolysis of tBuNTe(μ-NtBu)2TeNtBu (1) with 1 or 2 equiv of (C6F5)3B·H2O results in the success...
Metal-based compounds play a fundamental role in inorganic medicinal chemistry and the most import...
Metal-based compounds play a fundamental role in inorganic medicinal chemistry and the most import...
Dichalcogenido-imidodiphosphinates, [N(PR2E)(2)](-) (R = alkyl, aryl), are chelating ligands that re...
Dichalcogenido-imidodiphosphinates, [N(PR2E)(2)](-) (R = alkyl, aryl), are chelating ligands that re...
Dichalcogenido-imidodiphosphinates, [N(PR2E)(2)](-) (R = alkyl, aryl), are chelating ligands that re...
Dichalcogenido-imidodiphosphinates, [N(PR2E)(2)](-) (R = alkyl, aryl), are chelating ligands that re...