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Molecular dynamics investigation of mechanical properties of single-layer phagraphene
Ali Hossein Nezhad SHIRAZI
Frontiers of Structural and Civil Engineering 2019, Volume 13, Issue 2, Pages 495-503 doi: 10.1007/s11709-018-0492-4
Keywords: phaqraphene mechanical properties crack propaqation molecular dynamics thermal effects
Qingbin Guo,Sheng Chang
Frontiers of Environmental Science & Engineering 2017, Volume 11, Issue 2, doi: 10.1007/s11783-017-0922-x
Keywords: Soluble microbial product Extracellular polymeric substance Membrane bioreactor Membrane fouling Molecular
Dongliang HU, Jianzhong PEI, Rui LI, Jiupeng ZHANG, Yanshun JIA, Zepeng FAN
Frontiers of Structural and Civil Engineering 2020, Volume 14, Issue 1, Pages 109-122 doi: 10.1007/s11709-019-0579-6
Keywords: crumb rubber modified asphalt surface free energy self-healing interface properties molecular dynamics
Frontiers of Chemical Science and Engineering 2023, Volume 17, Issue 10, Pages 1484-1502 doi: 10.1007/s11705-023-2331-y
Keywords: polysulfone blend modification ultrafiltration membrane formation hydrodynamics poly(ethylene-co-vinyl alcohol) copolymer
Mohammad SALAVATI, Arvin MOJAHEDIN, Ali Hossein Nezhad SHIRAZI
Frontiers of Structural and Civil Engineering 2020, Volume 14, Issue 3, Pages 623-631 doi: 10.1007/s11709-020-0616-5
Keywords: hexagonal boron-nitride mechanical properties crack notch point defects molecular dynamics
Synthesis and properties of tetrathiafulvalene-porphyrin assemblies
Meijiang LI, Rui HUANG, Changzhi WU, Hujin ZUO, Guoqiao LAI, Yongjia SHEN
Frontiers of Chemical Science and Engineering 2011, Volume 5, Issue 4, Pages 422-428 doi: 10.1007/s11705-011-1124-x
Keywords: tetrathiafulvalene tetraphenylporphyrin dyad triad fluorescence molecular switch
John S. Tse
Engineering 2019, Volume 5, Issue 3, Pages 421-433 doi: 10.1016/j.eng.2019.01.008
Keywords: High pressure High temperature Earth mantle Molecular dynamics Density functional method Transportproperties Chemical reactivity
Special issue on “Molecular Sensors and Molecular Logic Gates”
Luling Wu , Tony D. James
Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 1, Pages 1-3 doi: 10.1007/s11705-021-2134-y
Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2, Pages 168-182 doi: 10.1007/s11705-021-2056-8
Keywords: computer-aided molecular design bio-oil additives molecular signature descriptor
Progress on molecular biomarkers and classification of malignant gliomas
Chuanbao Zhang, Zhaoshi Bao, Wei Zhang, Tao Jiang
Frontiers of Medicine 2013, Volume 7, Issue 2, Pages 150-156 doi: 10.1007/s11684-013-0267-1
Keywords: malignant glioma molecular biomarker IDH1 MGMT molecular classification
Molecular classification and molecular targeted therapy of cancer
Miao Xu, Jianyong Shao, Yixin Zeng
Frontiers of Medicine 2013, Volume 7, Issue 2, Pages 147-149 doi: 10.1007/s11684-013-0274-2
Advances in Molecular Electronics: A Brief Review Review
Paven Thomas Mathew, Fengzhou Fang
Engineering 2018, Volume 4, Issue 6, Pages 760-771 doi: 10.1016/j.eng.2018.11.001
The field of molecular electronics, also known as moletronics, deals with the assembly of molecularNovel research has been performed in developing electrical-equivalent molecular components.Since there is a need to reduce the size of the silicon chip, attaining such technology at the molecularAlthough the experimental verification and modeling of molecular devices present a daunting task, vitalThis article combines an overview of various molecular components, such as molecular transistors, diodes
Keywords: Moletronics Molecular transistor Molecular diode Molecular capacitor Molecular wire Graphene
Wenpo REN, Honggang CHEN, Chaohe YANG, Honghong SHAN,
Frontiers of Chemical Science and Engineering 2010, Volume 4, Issue 3, Pages 250-256 doi: 10.1007/s11705-009-0281-7
Keywords: dynamic simulation molecular dynamic behavior molecule Adsorption Chromatography
Effect of / molecular structures on pyrolysis performance and heat sink of decalin isomers
Frontiers of Chemical Science and Engineering 2023, Volume 18, Issue 1, doi: 10.1007/s11705-023-2375-z
Keywords: endothermic fuel decalin pyrolysis heat sink molecular structure
Frontiers of Environmental Science & Engineering 2023, Volume 17, Issue 11, doi: 10.1007/s11783-023-1740-y
● MD simulations unveil the transport mechanism for TFP-water mixture through CNTs.
Keywords: Fluorinated alcohol Carbon nanotube Molecular simulation Fluorine modified
Title Author Date Type Operation
Molecular dynamics investigation of mechanical properties of single-layer phagraphene
Ali Hossein Nezhad SHIRAZI
Journal Article
Tetra-detector size exclusion chromatography characterization of molecular and solution properties of
Qingbin Guo,Sheng Chang
Journal Article
Using thermodynamic parameters to study self-healing and interface properties of crumb rubber modifiedasphalt based on molecular dynamics simulation
Dongliang HU, Jianzhong PEI, Rui LI, Jiupeng ZHANG, Yanshun JIA, Zepeng FAN
Journal Article
Uncovering the effect of poly(ethylene-co-vinyl alcohol) molecular weight and vinyl alcohol content onmorphology, antifouling, and permeation properties of polysulfone ultrafiltration membrane: thermodynamic
Journal Article
Mechanical responses of pristine and defective hexagonal boron-nitride nanosheets: A molecular dynamics
Mohammad SALAVATI, Arvin MOJAHEDIN, Ali Hossein Nezhad SHIRAZI
Journal Article
Synthesis and properties of tetrathiafulvalene-porphyrin assemblies
Meijiang LI, Rui HUANG, Changzhi WU, Hujin ZUO, Guoqiao LAI, Yongjia SHEN
Journal Article
First-Principles Methods in the Investigation of the Chemical and Transport Properties of Materials under
John S. Tse
Journal Article
Special issue on “Molecular Sensors and Molecular Logic Gates”
Luling Wu , Tony D. James
Journal Article
Design of bio-oil additives via molecular signature descriptors using a multi-stage computer-aided molecular
Journal Article
Progress on molecular biomarkers and classification of malignant gliomas
Chuanbao Zhang, Zhaoshi Bao, Wei Zhang, Tao Jiang
Journal Article
Molecular classification and molecular targeted therapy of cancer
Miao Xu, Jianyong Shao, Yixin Zeng
Journal Article
Advances in Molecular Electronics: A Brief Review
Paven Thomas Mathew, Fengzhou Fang
Journal Article
Molecular size characterization of heavy oil fractions in vacuum and solution by molecular dynamic simulation
Wenpo REN, Honggang CHEN, Chaohe YANG, Honghong SHAN,
Journal Article
Effect of / molecular structures on pyrolysis performance and heat sink of decalin isomers
Journal Article