Theoretical Insight into the Second-Order NLO Response of the Bis{4-[2-(4-pyridyl)ethenyl]benzoato}-zinc(II) Metal–Organic Framework

2012 ◽  
Vol 116 (41) ◽  
pp. 21973-21981 ◽  
Author(s):  
Yuexing Zhang ◽  
Benoît Champagne
Keyword(s):  
Metal Organic Framework ◽  
Second Order ◽  
Nlo Response ◽  
Metal Organic ◽  
Theoretical Insight ◽  
Insight Into ◽  
Organic Framework

Encapsulation of pharmaceutical ingredient linker in metal–organic framework: combined experimental and theoretical insight into the drug delivery

RSC Advances ◽  
2016 ◽  
Vol 6 (53) ◽  
pp. 47959-47965 ◽  
Author(s):  
Fumei Li ◽  
Baohong Li ◽  
Chunfeng Wang ◽  
Yongping Zeng ◽  
Jianqiang Liu ◽  
...  
Keyword(s):  
Drug Delivery ◽  
Metal Organic Framework ◽  
Drug Adsorption ◽  
Matrix Interactions ◽  
Metal Organic ◽  
Theoretical Insight ◽  
Insight Into ◽  
Organic Framework

This work studied the effect of this relationship on the drug adsorption and delivery of pharmacological molecules. The GCMC has been performed in order to support the drug–matrix interactions in the pore of the material.

H3O2 Bridging Ligand in a Metal–Organic Framework. Insight into the Aqua-Hydroxo↔Hydroxyl Equilibrium: A Combined Experimental and Theoretical Study

2013 ◽  
Vol 135 (15) ◽  
pp. 5782-5792 ◽  
Author(s):  
Richard F. D’Vries ◽  
Victor A. de la Peña-O’Shea ◽  
Natalia Snejko ◽  
Marta Iglesias ◽  
Enrique Gutiérrez-Puebla ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Metal Organic Framework ◽  
Bridging Ligand ◽  
Metal Organic ◽  
Insight Into ◽  
Organic Framework

New Mechanistic Insight into Stepwise Metal-Center Exchange in a Metal-Organic Framework Based on Asymmetric Zn4Clusters

2014 ◽  
Vol 20 (10) ◽  
pp. 2945-2952 ◽  
Author(s):  
Wei Meng ◽  
Huijun Li ◽  
Zhouqing Xu ◽  
Shanshan Du ◽  
Yunxia Li ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Metal Center ◽  
Mechanistic Insight ◽  
Metal Organic ◽  
Insight Into ◽  
Organic Framework

Molecular Insight into Fluorocarbon Adsorption in Pore Expanded Metal–Organic Framework Analogs

2020 ◽  
Vol 142 (6) ◽  
pp. 3002-3012 ◽  
Author(s):  
Jian Zheng ◽  
Dushyant Barpaga ◽  
Benjamin A. Trump ◽  
Manish Shetty ◽  
Yanzhong Fan ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Expanded Metal ◽  
Metal Organic ◽  
Insight Into ◽  
Organic Framework

scholarly journals Kinetics of cooperative CO2 adsorption in diamine-appended variants of the metal–organic framework Mg2(dobpdc)

2020 ◽  
Vol 11 (25) ◽  
pp. 6457-6471 ◽  
Author(s):  
Jeffrey D. Martell ◽  
Phillip J. Milner ◽  
Rebecca L. Siegelman ◽  
Jeffrey R. Long
Keyword(s):  
Adsorption Kinetics ◽  
Carbon Capture ◽  
Co2 Adsorption ◽  
Metal Organic Framework ◽  
Performance Properties ◽  
Metal Organic ◽  
Kinetics Of ◽  
Insight Into ◽  
Organic Framework

An in-depth investigation of the CO2 adsorption kinetics of a promising class of cooperative carbon capture materials offers new insight into their structure-performance properties.

A proton-conducting lanthanide metal–organic framework integrated with a dielectric anomaly and second-order nonlinear optical effect

2014 ◽  
Vol 50 (49) ◽  
pp. 6513-6516 ◽  
Author(s):  
Xiaoqiang Liang ◽  
Feng Zhang ◽  
Haixia Zhao ◽  
Wei Ye ◽  
Lasheng Long ◽  
...  
Keyword(s):  
Carboxylic Acid ◽  
Nonlinear Optical ◽  
Metal Organic Framework ◽  
Dielectric Anomaly ◽  
Second Order ◽  
Optical Effect ◽  
Nonlinear Optical Effect ◽  
Metal Organic ◽  
Lanthanide Metal ◽  
Organic Framework

A multifunctional metal–organic framework, {[Gd4(R-ttpc)2(R-Httpc)2(HCOO)2(H2O)8]·4H2O}n [JUC-125, R-H3ttpc = (3R,3′R,3′′R)-1,1′,1′′-(1,3,5-triazine-2,4,6-triyl)-tripiperidine-3-carboxylic acid], shows proton conduction, dielectric anomalous behaviour and a second-order NLO effect.

Sensing mechanism elucidation of a europium( III ) metal–organic framework selective to aniline: A theoretical insight by means of multiconfigurational calculations

2020 ◽  
Vol 41 (22) ◽  
pp. 1956-1964 ◽  
Author(s):  
Yoan Hidalgo‐Rosa ◽  
Manuel A. Treto‐Suárez ◽  
Eduardo Schott ◽  
Ximena Zarate ◽  
Dayán Páez‐Hernández
Keyword(s):  
Metal Organic Framework ◽  
Sensing Mechanism ◽  
Metal Organic ◽  
Theoretical Insight ◽  
Organic Framework
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