Ушбу иш иқтибос қилган ишлар

52 та иш

Иш: The potential application of zinc oxide nanotubes as sensors for NH3 detection: A DFT study

cclib: A library for package‐independent computational chemistry algorithms
Noel M. O’Boyle, Adam L. Tenderholt, Karol M. Langner
Мақола200727 иқтибос
ABI
N2 reduction to NH3 on surfaces of Co-Al18P18, Ni-Al21N21, Fe-B24N24, Mn-B27P27, Ti-C60 and Cu-Si72 catalysts
Chou‐Yi Hsu, Mohammed Ahmed Mustafa, Anupam Yadav +9
Мақола202412 иқтибос
ABI
Detection of phosgene by Sc-doped BN nanotubes: A DFT study
Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri
Мақола201210 иқтибос
ABI
A theoretical study on surface modification of a nanosized BC3 tube using C2H4 and its derivatives
Morteza Moradi, Maziar Noei, Ali Ahmadi Peyghan
Мақола20138 иқтибос
ABI
ZnO Devices and Applications: A Review of Current Status and Future Prospects
Ümit Özgür, Daniel Hofstetter, H. Morkoç̌
Шарҳ мақола20107 иқтибос
ABI
Adsorption properties of CH3COOH on (6,0), (7,0), and (8,0) zigzag, and (4,4), and (5,5) armchair single-walled carbon nanotubes: A density functional study
Maziar Noei, Ali Akbar Salari, Mahsa Madani +2
Мақола20137 иқтибос
ABI
Why the Standard B3LYP/6-31G* Model Chemistry Should Not Be Used in DFT Calculations of Molecular Thermochemistry: Understanding and Correcting the Problem
Holger Kruse, Lars Goerigk, Stefan Grimme
Мақола20127 иқтибос
ABI
Improvement of the photoelectric dye sensitized solar cell performance using Fe/S–TiO2 nanoparticles as photoanode electrode
Chou‐Yi Hsu, H. N. K. AL-Salman, Zaid H. Mahmoud +2
Мақола20244 иқтибос
ABI
Density functional study on the adsorption and dissociation of nitroamine over the nanosized tube of MgO
Maryam Nayebzadeh, Ali Ahmadi Peyghan, Hamed Soleymanabadi
Мақола20144 иқтибос
ABI
RETRACTED: Experimental and theoretical study of improved mesoporous titanium dioxide perovskite solar cell: The impact of modification with graphene oxide
Chou‐Yi Hsu, H. N. K. AL-Salman, Hussein H. Hussein +8
МақолаPerovskite Materials and ApplicationsHeliyon20243 иқтибос
ABI
The adsorption of bromochlorodifluoromethane on pristine and Ge-doped silicon carbide nanotube: a PBC-DFT, NBO, and QTAIM study
Mohsen Doust Mohammadi, Hewa Y. Abdullah
Мақола20203 иқтибос
ABI
Electronic Response of Nano-sized Cages of ZnO and MgO to Presence of Nitric Oxide
Ali Ahmadi Peyghan, Maziar Noei
Мақола20132 иқтибос
ABI
Fabrication and ethanol sensing characteristics of ZnO nanowire gas sensors
Qing Wan, Q. H. Li, Yujin Chen +4
Мақола20042 иқтибос
ABI
Adsorption of O2, H2, CO, NH3, and NO2 on ZnO Nanotube: A Density Functional Theory Study
Wei An, Xiaojun Wu, Xiao Cheng Zeng
Мақола20082 иқтибос
ABI
Selective detection of F2 in the presence of CO, N2, O2, and H2 molecules using a ZnO nanocluster
Ali Ahmadi Peyghan, Somayeh F. Rastegar, Zargham Bagheri
Мақола20142 иқтибос
ABI
RETRACTED: Transition Metal-Decorated B 12 N 12 –X (X = Au, Cu, Ni, Os, Pt, and Zn) Nanoclusters as Biosensors for Carboplatin
Innocent Benjamin, Hitler Louis, Gideon A. Okon +6
Мақола20232 иқтибос
ABI
Chalcogenides encapsulated Pt-doped carbon quantum dot (Pt@CQD) as a carrier for the controlled release of lapachone: Outlook from theoretical calculations
Gideon A. Okon, Daniel G. Malu, Hewa Y. Abdullah +5
Мақола20242 иқтибос
ABI
Transition metals tailoring of phosphorus-doped gallium nitride nanotubes as sensors for N-butenyl homoserine lactone (BHL): A computational study
Bassey O. Ekpong, Hewa Y. Abdullah, Emmanuel Emmanuel +2
Мақола20242 иқтибос
ABI
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Ушбу иш иқтибос қилган ишлар

cclib: A library for package‐independent computational chemistry algorithms

N2 reduction to NH3 on surfaces of Co-Al18P18, Ni-Al21N21, Fe-B24N24, Mn-B27P27, Ti-C60 and Cu-Si72 catalysts

Detection of phosgene by Sc-doped BN nanotubes: A DFT study

A theoretical study on surface modification of a nanosized BC3 tube using C2H4 and its derivatives

ZnO Devices and Applications: A Review of Current Status and Future Prospects

Adsorption properties of CH3COOH on (6,0), (7,0), and (8,0) zigzag, and (4,4), and (5,5) armchair single-walled carbon nanotubes: A density functional study

Why the Standard B3LYP/6-31G* Model Chemistry Should Not Be Used in DFT Calculations of Molecular Thermochemistry: Understanding and Correcting the Problem

Improvement of the photoelectric dye sensitized solar cell performance using Fe/S–TiO2 nanoparticles as photoanode electrode

Density functional study on the adsorption and dissociation of nitroamine over the nanosized tube of MgO

RETRACTED: Experimental and theoretical study of improved mesoporous titanium dioxide perovskite solar cell: The impact of modification with graphene oxide

The adsorption of bromochlorodifluoromethane on pristine and Ge-doped silicon carbide nanotube: a PBC-DFT, NBO, and QTAIM study

Electronic Response of Nano-sized Cages of ZnO and MgO to Presence of Nitric Oxide

Fabrication and ethanol sensing characteristics of ZnO nanowire gas sensors

Adsorption of O<sub>2</sub>, H<sub>2</sub>, CO, NH<sub>3</sub>, and NO<sub>2</sub> on ZnO Nanotube: A Density Functional Theory Study

Selective detection of F2 in the presence of CO, N2, O2, and H2 molecules using a ZnO nanocluster

RETRACTED: Transition Metal-Decorated B <sub>12</sub> N <sub>12</sub> –X (X = Au, Cu, Ni, Os, Pt, and Zn) Nanoclusters as Biosensors for Carboplatin

Chalcogenides encapsulated Pt-doped carbon quantum dot (Pt@CQD) as a carrier for the controlled release of lapachone: Outlook from theoretical calculations

Transition metals tailoring of phosphorus-doped gallium nitride nanotubes as sensors for N-butenyl homoserine lactone (BHL): A computational study

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