Ushbu ish iqtibos qilgan ishlar

56 ta ish

Ish: 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
Maqola199349 iqtibos
ABI
cclib: A library for package‐independent computational chemistry algorithms
Noel M. O’Boyle, Adam L. Tenderholt, Karol M. Langner
Maqola200727 iqtibos
ABI
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
Samuel Francis Boys, Fernando Bernardi
Maqola197025 iqtibos
ABI
Detection of phosgene by Sc-doped BN nanotubes: A DFT study
Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri
Maqola201210 iqtibos
ABI
Accurate description of van der Waals complexes by density functional theory including empirical corrections
Stefan Grimme
Maqola20049 iqtibos
ABI
Electrophilicity Index
Robert G. Parr, László von Szentpály, Shubin Liu
Maqola19999 iqtibos
ABI
Pd-doped MoS2 monolayer: A promising candidate for DGA in transformer oil based on DFT method
Hao Cui, Xiaoxing Zhang, Guozhi Zhang +1
Maqola20187 iqtibos
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
MaqolaNonlinear Optical Materials ResearchOptical Materials20256 iqtibos
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
Maqola20216 iqtibos
ABI
Carbon Nanotube Sensors for Gas and Organic Vapor Detection
Jing Li, Yijiang Lu, Ye Qi +3
Maqola20036 iqtibos
ABI
Recent advances on graphene: Synthesis, properties and applications
Feizhi Zhang, Kang Yang, Guanjun Liu +4
Maqola20225 iqtibos
ABI
Study on novel fluorescent carbon nanomaterials in food analysis
Ngafwan NGAFWAN, Harun Al Rasyid, Emad Salaam Abood +4
Maqola20215 iqtibos
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
Maqola20144 iqtibos
ABI
Theoretical Study on the Al-Doped ZnO Nanoclusters for CO Chemical Sensors
Nasser L. Hadipour, Ali Ahmadi Peyghan, Hamed Soleymanabadi
Maqola20154 iqtibos
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
Maqola20203 iqtibos
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
Maqola20183 iqtibos
ABI
Types of Nanostructures
Mahmoud Nasrollahzadeh, Zahra Issaabadi, Mohaddeseh Sajjadi +2
Bob20193 iqtibos
ABI
Detection of nitrobenzene using transition metal doped C24: A DFT study
Debolina Paul, Antara Vaidyanathan, Utpal Sarkar +1
Maqola20213 iqtibos
ABI
The Development Trend of Graphene Derivatives
Chen Li, Cun Zheng, Feng Cao +2
Maqola20223 iqtibos
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
Maqola20233 iqtibos
ABI
Richardson-Dushman Equation Monograph
Arthur L. Smith, R. Breitwieser
Maqola19702 iqtibos
ABI
Semiconductor Junction Gas Sensors
Karin Potje‐Kamloth
Sharh maqola20082 iqtibos
ABI
DFT study on the functionalization of a BN nanotube with sulfamide
Javad Beheshtian, Ali Ahmadi Peyghan, Mohammad Bigdeli Tabar +1
Maqola20122 iqtibos
ABI
Chemical hardness and density functional theory
Ralph G. Pearson
Maqola20052 iqtibos
ABI
Ab initio study of CNT NO2 gas sensor
Shu Peng, Kyeongjae Cho, Pengfei Qi +1
Maqola20042 iqtibos
ABI