Add to ORKGQuantum chemical calculations for model clusters of the adsorption systems have been done using the DV-Xalpha method. The properties of the adsorption center have been elucidated on the basis of discussing the activation pattern of thiophene
N.S. and J.R.F. performed the experiments. N.S. analyzed the experimental data. S.R. performed the ...
Layered transition metal chalcogenides have emerged as a fascinating new class of materials for cata...
Temperature programmed desorption and infrared and X-ray absorption near-edge spectroscopies were us...
The electronic and bonding properties of Co9S8, RuS2 and the related thiophene adsorption systems ha...
Quantum chemical calculation for some model clusters has been done. These clusters represent the imp...
The electronic and bonding properties of MoS2, thiophene, tetrahydrothiophene and their related adso...
The Mo2N-thiophene model systems have been studied using ab initio effective potential calculation. ...
The structure and adsorption of Mo27S((54-x)) (x = 1-6) clusters have been investigated using densit...
It is known from temperature-programmed desorption studies that the binding energy of thiophene over...
It is known from temperature-programmed desorption studies that the binding energy of thiophene over...
Elementary reaction steps for the catalytic cycle of thiophene desulfurization on Ni3Sy and Ni4Sy cl...
We use density functional theory with the inclusion of the van der Waals interaction to study the ad...
The hydrodesulfurization (HDS) of thiophene and its derivatives by Mo-based catalysts shows signific...
Combining density functional theory calculations and temperature programmed desorption (TPD) experi...
Interpretation and comparison of the vibrational spectra of organometallic complexes containing thio...
N.S. and J.R.F. performed the experiments. N.S. analyzed the experimental data. S.R. performed the ...
Layered transition metal chalcogenides have emerged as a fascinating new class of materials for cata...
Temperature programmed desorption and infrared and X-ray absorption near-edge spectroscopies were us...
The electronic and bonding properties of Co9S8, RuS2 and the related thiophene adsorption systems ha...
Quantum chemical calculation for some model clusters has been done. These clusters represent the imp...
The electronic and bonding properties of MoS2, thiophene, tetrahydrothiophene and their related adso...
The Mo2N-thiophene model systems have been studied using ab initio effective potential calculation. ...
The structure and adsorption of Mo27S((54-x)) (x = 1-6) clusters have been investigated using densit...
It is known from temperature-programmed desorption studies that the binding energy of thiophene over...
It is known from temperature-programmed desorption studies that the binding energy of thiophene over...
Elementary reaction steps for the catalytic cycle of thiophene desulfurization on Ni3Sy and Ni4Sy cl...
We use density functional theory with the inclusion of the van der Waals interaction to study the ad...
The hydrodesulfurization (HDS) of thiophene and its derivatives by Mo-based catalysts shows signific...
Combining density functional theory calculations and temperature programmed desorption (TPD) experi...
Interpretation and comparison of the vibrational spectra of organometallic complexes containing thio...
N.S. and J.R.F. performed the experiments. N.S. analyzed the experimental data. S.R. performed the ...
Layered transition metal chalcogenides have emerged as a fascinating new class of materials for cata...
Temperature programmed desorption and infrared and X-ray absorption near-edge spectroscopies were us...