Theoretical prediction on photoelectric and supramolecular properties of benzoquinone-tetrathiafulvalene macrocyclic molecules

Yanwu Yang; Zhiyin Yang; Yuqing Yan; Huizhong Shi; Ju Xie

doi:10.1007/s00894-021-04782-5

Theoretical prediction on photoelectric and supramolecular properties of benzoquinone-tetrathiafulvalene macrocyclic molecules

Journal of Molecular Modeling ◽

10.1007/s00894-021-04782-5 ◽

2021 ◽

Vol 27 (6) ◽

Author(s):

Yanwu Yang ◽

Zhiyin Yang ◽

Yuqing Yan ◽

Huizhong Shi ◽

Ju Xie

Keyword(s):

Theoretical Prediction ◽

Macrocyclic Molecules

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Theoretical Prediction of the Thermal Conductivity of Frozen Foods

Proceeding of Thermal Sciences 2004. Proceedings of the ASME - ZSIS International Thermal Science Seminar II ◽

10.1615/ichmt.2004.intthermscisemin.220 ◽

2004 ◽

Author(s):

Fabio Gori ◽

S. Corasaniti ◽

Vlodek R. Tarnawski

Keyword(s):

Thermal Conductivity ◽

Theoretical Prediction ◽

Frozen Foods

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Faculty Opinions recommendation of Theoretical prediction of a crystal structure.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1001332.15607 ◽

2001 ◽

Author(s):

Michal Brylinski

Keyword(s):

Crystal Structure ◽

Theoretical Prediction

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Review of Theoretical Prediction Models for Organic Extract Metabolites, Effect of Drying Temperature on Smooth Muscle Relaxing Activity Induced by Organic Extracts Specially Cecropia Obtusifolia Portal and Web Server Predictors of Drug-Protein Interaction

Mini-Reviews in Medicinal Chemistry ◽

10.2174/1389557515666150219145750 ◽

2015 ◽

Vol 15 (999) ◽

pp. 1-1

Author(s):

Francisco Aguirre-Crespo ◽

Xerardo García-Mera ◽

Mónica Guillén-Poot ◽

Héctor May-Díaz ◽

Adrián Tun-Suárez ◽

...

Keyword(s):

Smooth Muscle ◽

Theoretical Prediction ◽

Protein Interaction ◽

Prediction Models ◽

Web Server ◽

Organic Extract ◽

Drying Temperature ◽

Cecropia Obtusifolia ◽

Organic Extracts

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Theoretical prediction of transport coefficients of antimony doped tin dioxide

Ceramics International ◽

10.1016/j.ceramint.2021.02.091 ◽

2021 ◽

Vol 47 (11) ◽

pp. 15277-15281

Author(s):

Rundong Wan ◽

Kaicheng Jiang ◽

Zhengfu Zhang ◽

Ying Lei ◽

Guocai Tian

Keyword(s):

Theoretical Prediction ◽

Tin Dioxide ◽

Transport Coefficients

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Theoretical prediction of intrinsic carrier mobility of monolayer C7N6: First-principles study

Physics Letters A ◽

10.1016/j.physleta.2021.127340 ◽

2021 ◽

pp. 127340

Author(s):

Yajing Zhang ◽

Shuo Cao ◽

Yanzhou Wang ◽

Xiaodong Jian ◽

Libin Shi ◽

...

Keyword(s):

Theoretical Prediction ◽

First Principles ◽

Carrier Mobility ◽

First Principles Study

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Sublimation thermodynamics of pyrazinoic, dipicolinic and quinolinic acids: Experiment and theoretical prediction

The Journal of Chemical Thermodynamics ◽

10.1016/j.jct.2020.106369 ◽

2021 ◽

Vol 155 ◽

pp. 106369

Author(s):

K.V. Drozd ◽

A.N. Manin ◽

A.P. Voronin ◽

G.L. Perlovich

Keyword(s):

Theoretical Prediction ◽

Sublimation Thermodynamics

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Theoretical Prediction of High-Performance Room-Temperature InGaAs/Si Single-Photon Avalanche Diode Fabricated by Semiconductor Interlayer Bonding

IEEE Transactions on Electron Devices ◽

10.1109/ted.2021.3058598 ◽

2021 ◽

pp. 1-8

Author(s):

Shaoying Ke ◽

Zhixiang Chen ◽

Jinrong Zhou ◽

Jinlong Jiao ◽

Xiaoqiang Chen ◽

...

Keyword(s):

Theoretical Prediction ◽

High Performance ◽

Room Temperature ◽

Single Photon ◽

Avalanche Diode ◽

Interlayer Bonding

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Zinc removal and recovery from industrial wastewater with a microbial fuel cell: Experimental investigation and theoretical prediction

The Science of The Total Environment ◽

10.1016/j.scitotenv.2021.145934 ◽

2021 ◽

Vol 776 ◽

pp. 145934

Author(s):

Swee Su Lim ◽

Jean-Marie Fontmorin ◽

Hai The Pham ◽

Edward Milner ◽

Peer Mohamed Abdul ◽

...

Keyword(s):

Experimental Investigation ◽

Fuel Cell ◽

Theoretical Prediction ◽

Microbial Fuel Cell ◽

Industrial Wastewater ◽

Zinc Removal ◽

Removal And Recovery

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Theoretical prediction and numerical analysis of axially crushed square tube with induced folding patterns

Mechanics of Advanced Materials and Structures ◽

10.1080/15376494.2021.1911010 ◽

2021 ◽

pp. 1-22

Author(s):

Jiangping Huang ◽

Rongqiang Liu ◽

Jianguo Tao

Keyword(s):

Numerical Analysis ◽

Theoretical Prediction ◽

Induced Folding

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Thermo-responsive and shape-morphing CF/GF composite skin: Full-field experimental measurement, theoretical prediction, and finite element analysis

Thin-Walled Structures ◽

10.1016/j.tws.2020.106874 ◽

2021 ◽

Vol 160 ◽

pp. 106874

Author(s):

Jamal Seyyed Monfared Zanjani ◽

Pouya Yousefi Louyeh ◽

Isa Emami Tabrizi ◽

Abdulrahman Saeed Al-Nadhari ◽

Mehmet Yildiz

Keyword(s):

Finite Element Analysis ◽

Finite Element ◽

Theoretical Prediction ◽

Experimental Measurement ◽

Element Analysis ◽

Full Field ◽

Shape Morphing

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