Работы, на которые ссылается эта работа

Работ: 43

Работа: Selective gas sensing and electronic response of Al-decorated phographene (Al-d-PHOG) nanosheets: Insights from DFT and electron density analyses

Multiwfn: A multifunctional wavefunction analyzer
Tian Lu, Feiwu Chen
Статья2011Цитирований: 110
ABI
VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten
Статья1996Цитирований: 77
ABI
Exploring charge-transfer of 2D borophene in carbon nitride: boosting uranium photoreduction
Yin Lu, Yonggang Zhao, Shuqing Wang +1
Статья2025Цитирований: 8
ABI
Ultrasensitive optoelectronic biosensor arrays based on twisted bilayer graphene superlattice
Bowen Du, Xilin Tian, Zhi Chen +9
Статья2025Цитирований: 8
ABI
Natural bond orbital analysis: A critical overview of relationships to alternative bonding perspectives
Frank Weinhold
Статья2012Цитирований: 7
ABI
Sulfur-doped g-C3N4/rGO porous nanosheets for highly efficient photocatalytic degradation of refractory contaminants
Yanmei Zheng, Yuanyuan Liu, Xinli Guo +6
Статья2019Цитирований: 6
ABI
Noncovalent Interactions in Crystalline Picolinic Acid N-Oxide: Insights from Experimental and Theoretical Charge Density Analysis
Anastasia V. Shishkina, Vladimir Zhurov, A.I. Stash +3
Статья2013Цитирований: 6
ABI
A cost-effective and sensitive voltammetric sensor for determination of baicalein in herbal medicine based on shuttle-shape α-Fe2O3 nanoparticle decorated multi-walled carbon nanotubes
Jingtao Wu, Xiaodong Yue, Tianyu Wang +3
Статья2025Цитирований: 6
ABI
Effective Molecular Descriptors for Chemical Accuracy at DFT Cost: Fragmentation, Error-Cancellation, and Machine Learning
Eric M. Collins, Krishnan Raghavachari
Статья2020Цитирований: 5
ABI
A machine learning scheme for the catalytic activity of alloys with intrinsic descriptors
Ze Yang, Wang Gao, Qing Jiang
Статья2020Цитирований: 5
ABI
Computational Studies of Poly(vinylidene fluoride)—Single Wall Carbon Nanotube Systems
Martin Bohlén, Kavitha Chelakara Satyanarayana, Kim Bolton
Статья2013Цитирований: 5
ABI
Tuning Gas Sensing Properties through Metal-Nanocluster Functionalization of 3D SnO2 Nanotube Arrays for Selective Gas Detection
Jia Yan, Yue Kang, Weihao Fang +2
Статья2025Цитирований: 4
ABI
Adsorption of air pollutants onto silver and gold atomic clusters: DFT and PNO-LCCSD-F12 calculations
Mohsen Doust Mohammadi, Nikolaos Patsalidis, Somnath Bhowmick +2
Статья2023Цитирований: 4
ABI
Electron/Hole Mobilities of Periodic DNA and Nucleobase Structures from Large-Scale DFT Calculations
Hyuna Kwon, Anshuman Kumar, Mauro Del Ben +1
Статья2023Цитирований: 4
ABI
A DFT/TD-DFT investigation of clozapine adsorption on B 12 Y 12 (Y = N, P) nanocages as vehicles for applications in schizophrenia treatment
Charly Tedjeuguim Tsapi, Stanley Numbonui Tasheh, Aymard Didier Tamafo Fouégué +4
Статья2025Цитирований: 4
ABI
Ultrasensitive electrochemical sensor for fenitrothion based on MIL-125 derived iron/titanium bimetallic oxides doped porous carbon composite
Jiejun Li, Lin Li, Junjie Fei +3
Статья2024Цитирований: 3
ABI
Amide-functionalized g-C3N4 nanosheet for the adsorption of arsenite (As3+): Process optimization, experimental, and density functional theory insight
Mohammad Khajavian, Sadegh Kaviani, Irina Piyanzina +3
Статья2024Цитирований: 3
ABI
Fermi level induced band edge alignment and band bending in Ag3PO4/Cu2O p-n heterojunction for proficient photocatalytic applications
Souman Pahi, Bikash Mahapatra, Abhijit Behera +2
Статья2023Цитирований: 3
ABI
Boosting Electromagnetic Wave Absorbing Capacity of Al2O3 Coating Through In Situ Generating Nano TiO1.81 From Ti2AlC MAX Phases
Wenbo Yu, Chaosheng Ma, Yihu Ma +4
Статья2025Цитирований: 3
ABI
A computer-based study on the potential flutamide drug biosensor based on transition metal modified BN nanocage
Osamah Abdulbari Khadhair, Ammar Yasir Ahmed, G. Padma Priya +8
СтатьяAdvanced biosensing and bioanalysis techniquesMicrochemical Journal2025Цитирований: 2
ABI
Modification of graphenylene nanostructure as a promising material for adsorption and sensing of 5-fluorouracil: First-principles investigations
Ali B.M. Ali, Abdulsalam Abdulsattar Abdulazez, G. Padma Priya +8
СтатьяGraphene research and applicationsJournal of Molecular Graphics and Modelling2025Цитирований: 2
ABI
Pt decorated BN nanocage as an effective sensor material for the detection of 5-Fluorouracil anticancer drug
Chou-Yi Hsu, A. A. Abdulaziz, G.Padma Priya +8
СтатьяBoron and Carbon Nanomaterials ResearchMaterials Chemistry and Physics2026Цитирований: 2
ABI
The potential of increasing man-made air pollution to reduce rainfall over southern West Africa
Gregor Pante, Peter Knippertz, Andreas H. Fink +1
Статья2021Цитирований: 2
ABI
Comparison of Molecular Geometry Optimization Methods Based on Molecular Descriptors
Donatella Bálint, Lorentz Jäntschi
Статья2021Цитирований: 2
ABI
Health effects of air pollutant mixtures (volatile organic compounds, particulate matter, sulfur and nitrogen oxides) – a review of the literature
Emese Fazakas, Iulia A. Neamtiu, Eugen Gurzău
Обзорная статья2023Цитирований: 2
ABI

Работы, на которые ссылается эта работа

Multiwfn: A multifunctional wavefunction analyzer

VMD: Visual molecular dynamics

Exploring charge-transfer of 2D borophene in carbon nitride: boosting uranium photoreduction

Ultrasensitive optoelectronic biosensor arrays based on twisted bilayer graphene superlattice

Natural bond orbital analysis: A critical overview of relationships to alternative bonding perspectives

Sulfur-doped g-C3N4/rGO porous nanosheets for highly efficient photocatalytic degradation of refractory contaminants

Noncovalent Interactions in Crystalline Picolinic Acid N-Oxide: Insights from Experimental and Theoretical Charge Density Analysis

A cost-effective and sensitive voltammetric sensor for determination of baicalein in herbal medicine based on shuttle-shape α-Fe2O3 nanoparticle decorated multi-walled carbon nanotubes

Effective Molecular Descriptors for Chemical Accuracy at DFT Cost: Fragmentation, Error-Cancellation, and Machine Learning

A machine learning scheme for the catalytic activity of alloys with intrinsic descriptors

Computational Studies of Poly(vinylidene fluoride)—Single Wall Carbon Nanotube Systems

Tuning Gas Sensing Properties through Metal-Nanocluster Functionalization of 3D SnO<sub>2</sub> Nanotube Arrays for Selective Gas Detection

Adsorption of air pollutants onto silver and gold atomic clusters: DFT and PNO-LCCSD-F12 calculations

Electron/Hole Mobilities of Periodic DNA and Nucleobase Structures from Large-Scale DFT Calculations

A DFT/TD-DFT investigation of clozapine adsorption on B <sub>12</sub> Y <sub>12</sub> (Y = N, P) nanocages as vehicles for applications in schizophrenia treatment

Ultrasensitive electrochemical sensor for fenitrothion based on MIL-125 derived iron/titanium bimetallic oxides doped porous carbon composite

Amide-functionalized g-C3N4 nanosheet for the adsorption of arsenite (As3+): Process optimization, experimental, and density functional theory insight

Fermi level induced band edge alignment and band bending in Ag3PO4/Cu2O p-n heterojunction for proficient photocatalytic applications

Boosting Electromagnetic Wave Absorbing Capacity of Al<sub>2</sub>O<sub>3</sub> Coating Through In Situ Generating Nano TiO<sub>1.81</sub> From Ti<sub>2</sub>AlC MAX Phases

A computer-based study on the potential flutamide drug biosensor based on transition metal modified BN nanocage

Modification of graphenylene nanostructure as a promising material for adsorption and sensing of 5-fluorouracil: First-principles investigations

Pt decorated BN nanocage as an effective sensor material for the detection of 5-Fluorouracil anticancer drug

The potential of increasing man-made air pollution to reduce rainfall over southern West Africa

Comparison of Molecular Geometry Optimization Methods Based on Molecular Descriptors

Health effects of air pollutant mixtures (volatile organic compounds, particulate matter, sulfur and nitrogen oxides) – a review of the literature