Ushbu ish iqtibos qilgan ishlar

52 ta ish

Ish: 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
Maqola200727 iqtibos
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
Maqola202412 iqtibos
ABI
Detection of phosgene by Sc-doped BN nanotubes: A DFT study
Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri
Maqola201210 iqtibos
ABI
A theoretical study on surface modification of a nanosized BC3 tube using C2H4 and its derivatives
Morteza Moradi, Maziar Noei, Ali Ahmadi Peyghan
Maqola20138 iqtibos
ABI
ZnO Devices and Applications: A Review of Current Status and Future Prospects
Ümit Özgür, Daniel Hofstetter, H. Morkoç̌
Sharh maqola20107 iqtibos
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
Maqola20137 iqtibos
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
Maqola20127 iqtibos
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
Maqola20244 iqtibos
ABI
Density functional study on the adsorption and dissociation of nitroamine over the nanosized tube of MgO
Maryam Nayebzadeh, Ali Ahmadi Peyghan, Hamed Soleymanabadi
Maqola20144 iqtibos
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
MaqolaPerovskite Materials and ApplicationsHeliyon20243 iqtibos
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
Maqola20203 iqtibos
ABI
Electronic Response of Nano-sized Cages of ZnO and MgO to Presence of Nitric Oxide
Ali Ahmadi Peyghan, Maziar Noei
Maqola20132 iqtibos
ABI
Fabrication and ethanol sensing characteristics of ZnO nanowire gas sensors
Qing Wan, Q. H. Li, Yujin Chen +4
Maqola20042 iqtibos
ABI
Adsorption of O2, H2, CO, NH3, and NO2 on ZnO Nanotube: A Density Functional Theory Study
Wei An, Xiaojun Wu, Xiao Cheng Zeng
Maqola20082 iqtibos
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
Maqola20142 iqtibos
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
Maqola20232 iqtibos
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
Maqola20242 iqtibos
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
Maqola20242 iqtibos
ABI
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Ushbu ish iqtibos qilgan ishlar

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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