Работы, на которые ссылается эта работа

Работ: 57

Работа: Discriminative adsorption and sensing of air pollutants for public health by graphdiyne: irreversible adsorption and selectivity toward NO2 revealed by DFT

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
Natural bond orbital analysis: A critical overview of relationships to alternative bonding perspectives
Frank Weinhold
Статья2012Цитирований: 7
ABI
Adsorption of melphalan anticancer drug on C24, B12N12, B12C6N6, B6C12N12 and B6C6N12 nanocages: A comparative DFT study
Christian A. Celaya, Luis Felipe Hernández‐Ayala, Fernando Buendía +2
Статья2021Цитирований: 6
ABI
Investigating the adsorption, electronic properties, and gas-sensing responses of NH3 on the B3S monolayer
Mohamed J. Saadh, Sura Mohammad Mohealdeen, Nelly Esther Flores Tapia +5
Статья2023Цитирований: 6
ABI
The B3S monolayer as a two-dimensional material for seeing of HCHO molecules as environmental and water pollutants
Yuan Li, Yu Fang, Weiqing Ning +6
Статья2024Цитирований: 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
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
Selective Sensing Characteristics of Ca Doped BeO Nano-sized Tube toward H2O and NH3
Maziar Noei, Vahid Zare-Shahabadi, Seyedeh Najmeh Razi
Статья2013Цитирований: 4
ABI
RETRACTED: Therapeutic Potential of B <sub>12</sub> N <sub>12</sub> -X (X = Au, Os, and Pt) Nanostructured as Effective Fluorouracil (5Fu) Drug Delivery Materials
Kelechi Chukwuemeka, Hitler Louis, Innocent Benjamin +4
Статья2023Цитирований: 4
ABI
Beryllium oxide nano-cage as sorbent and sensor for formaldehyde gas: DFT-D3 calculations
H.M. Badran, Kh.M. Eid, H.O. Al-Nadary +1
Статья2023Цитирований: 4
ABI
Synthesis and structural characterization of nano‐sized metal complexes of 3‐(1‐methyl‐4‐hydroxy‐2‐oxo‐1,2‐dihydroquinolin‐3‐yl)‐2‐nitro‐3‐oxopropanoic acid. XRD, thermal, 3D modeling, and antitumor activity studies
Mosad A. El‐ghamry, Hoda F. El‐Shafiy
Статья2021Цитирований: 4
ABI
2D Material Chemistry: Graphdiyne-based Biochemical Sensing
Jiaofu Li, Changjin Wan, Cong Wang +2
Статья2020Цитирований: 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
Adsorption of gas molecule on Rh, Ru doped monolayer MoS2 for gas sensing applications: A DFT study
Ruijuan Du, Wei Wu
Статья2021Цитирований: 3
ABI
Interpretations and DFT Calculations for Polypropylene/Cupper Oxide Nanosphere
Mohamed G. El‐Desouky, M. Abd El–Wahab, A.A. El-Bindary +97
Статья2021Цитирований: 3
ABI
AlC3 monolayer: Highly responsive and selective gas sensing material for SF6 decomposed gases (SOF2, SO2F2 and SO2)
I. Rhrissi, A. Bouhmouche, Youssef Arba +1
Статья2024Цитирований: 3
ABI
Global Burden of Chronic Respiratory Diseases
Giovanni Viegi, Sara Maio, Salvatore Fasola +1
Обзорная статья2020Цитирований: 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
Ambient Air Pollution Increases the Risk of Cerebrovascular and Neuropsychiatric Disorders through Induction of Inflammation and Oxidative Stress
Omar Hahad, Jos Lelieveld, Frank Birklein +3
Обзорная статья2020Цитирований: 2
ABI
Environmental determinants of cardiovascular disease: lessons learned from air pollution
Sadeer Al‐Kindi, Robert D. Brook, Shyam Biswal +1
Обзорная статья2020Цитирований: 2
ABI
How air pollution threatens brain health
Lynne Peeples
Статья2020Цитирований: 2
ABI
Unique structural advances of graphdiyne for energy applications
Yasong Zhao, Nailiang Yang, Ranbo Yu +4
Статья2020Цитирований: 2
ABI