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Иш: Development of efficient both work function and electric type sensor for the detection of nitrous oxide toxic gas via TM metal boron nitride graphdiyne nanosheets: A DFT study

General atomic and molecular electronic structure system
Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz +10
Мақола199349 иқтибос
ABI
cclib: A library for package‐independent computational chemistry algorithms
Noel M. O’Boyle, Adam L. Tenderholt, Karol M. Langner
Мақола200727 иқтибос
ABI
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
Samuel Francis Boys, Fernando Bernardi
Мақола197025 иқтибос
ABI
Detection of phosgene by Sc-doped BN nanotubes: A DFT study
Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri
Мақола201210 иқтибос
ABI
Accurate description of van der Waals complexes by density functional theory including empirical corrections
Stefan Grimme
Мақола20049 иқтибос
ABI
Electrophilicity Index
Robert G. Parr, László von Szentpály, Shubin Liu
Мақола19999 иқтибос
ABI
Pd-doped MoS2 monolayer: A promising candidate for DGA in transformer oil based on DFT method
Hao Cui, Xiaoxing Zhang, Guozhi Zhang +1
Мақола20187 иқтибос
ABI
Molecular structure, vibrational spectral assignments, MEP, HOMO-LUMO, AIM, NCI, RDG, ELF, LOL properties of acetophenone and for its solutions based on DFT calculations
А. Jumabaev, Bekzod Khudaykulov, Utkirjon Holikulov +6
МақолаNonlinear Optical Materials ResearchOptical Materials20256 иқтибос
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
Мақола20216 иқтибос
ABI
Carbon Nanotube Sensors for Gas and Organic Vapor Detection
Jing Li, Yijiang Lu, Ye Qi +3
Мақола20036 иқтибос
ABI
Recent advances on graphene: Synthesis, properties and applications
Feizhi Zhang, Kang Yang, Guanjun Liu +4
Мақола20225 иқтибос
ABI
Study on novel fluorescent carbon nanomaterials in food analysis
Ngafwan NGAFWAN, Harun Al Rasyid, Emad Salaam Abood +4
Мақола20215 иқтибос
ABI
Theoretical study of dibenzotetraaza[14]annulene complexes with first row transition metals
Natanael de Sousa Sousa, Roberto Batista de Lima, Adilson Luís Pereira Silva +3
Мақола20144 иқтибос
ABI
Theoretical Study on the Al-Doped ZnO Nanoclusters for CO Chemical Sensors
Nasser L. Hadipour, Ali Ahmadi Peyghan, Hamed Soleymanabadi
Мақола20154 иқтибос
ABI
DFT and QTAIM investigations of the adsorption of chlormethine anticancer drug on the exterior surface of pristine and transition metal functionalized boron nitride fullerene
Md. Rakib Hossain, Md. Mehade Hasan, Maliha Nishat +4
Мақола20203 иқтибос
ABI
The role of NaOH and papaya latex bio-activator during production of carbon nanoparticle from rice husks
N Ngafwan, I.N.G. Wardana, Widya Wijayanti +1
Мақола20183 иқтибос
ABI
Types of Nanostructures
Mahmoud Nasrollahzadeh, Zahra Issaabadi, Mohaddeseh Sajjadi +2
Боб20193 иқтибос
ABI
Detection of nitrobenzene using transition metal doped C24: A DFT study
Debolina Paul, Antara Vaidyanathan, Utpal Sarkar +1
Мақола20213 иқтибос
ABI
The Development Trend of Graphene Derivatives
Chen Li, Cun Zheng, Feng Cao +2
Мақола20223 иқтибос
ABI
Unveiling regularities of B12N12-X nanocages as a drug delivery vehicle for the nitrosourea: The influence of periods and groups
Y.B. Zhang, Yafei Luo, Lingkai Tang +2
Мақола20233 иқтибос
ABI
Richardson-Dushman Equation Monograph
Arthur L. Smith, R. Breitwieser
Мақола19702 иқтибос
ABI
Semiconductor Junction Gas Sensors
Karin Potje‐Kamloth
Шарҳ мақола20082 иқтибос
ABI
DFT study on the functionalization of a BN nanotube with sulfamide
Javad Beheshtian, Ali Ahmadi Peyghan, Mohammad Bigdeli Tabar +1
Мақола20122 иқтибос
ABI
Chemical hardness and density functional theory
Ralph G. Pearson
Мақола20052 иқтибос
ABI
Ab initio study of CNT NO2 gas sensor
Shu Peng, Kyeongjae Cho, Pengfei Qi +1
Мақола20042 иқтибос
ABI