scholarly journals The competing effects of core rigidity and linker flexibility in the nanoassembly of trivalent small molecule-DNA hybrids (SMDH3s)–a synergistic experimental-modeling study

Nanoscale ◽  
2017 ◽  
Vol 9 (34) ◽  
pp. 12652-12663 ◽  
Author(s):  
Vincent Y. Cho ◽  
Bong Jin Hong ◽  
Kevin L. Kohlstedt ◽  
George C. Schatz ◽  
SonBinh T. Nguyen
Keyword(s):  
Small Molecule ◽  
Experimental Modeling ◽  
Linker Flexibility ◽  
Modeling Study

The nanoassembly behavior of trivalent small molecule-DNA hybrids (SMDH3s) was investigated as a function of core geometry and supramolecular flexibility through a synergistic experimental-modeling study.

scholarly journals Enhancing DNA-Mediated Assemblies of Supramolecular Cage Dimers through Tuning Core Flexibility and DNA Length—A Combined Experimental–Modeling Study

2015 ◽  
Vol 137 (41) ◽  
pp. 13381-13388 ◽  
Author(s):  
Bong Jin Hong ◽  
Vincent Y. Cho ◽  
Reiner Bleher ◽  
George C. Schatz ◽  
SonBinh T. Nguyen
Keyword(s):  
Experimental Modeling ◽  
Modeling Study

A Co(ii)-coordination polymer for ultrahigh superprotonic conduction: an atomistic insight through molecular simulations and QENS experiments

2020 ◽  
Vol 8 (16) ◽  
pp. 7847-7853 ◽  
Author(s):  
Shyam Chand Pal ◽  
Santanu Chand ◽  
Anaparthi Ganesh Kumar ◽  
Paulo G. M. Mileo ◽  
Ian Silverwood ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Long Range ◽  
Diffusion Model ◽  
Molecular Simulations ◽  
Jump Diffusion ◽  
Experimental Modeling ◽  
Jump Diffusion Model ◽  
Proton Dynamics ◽  
Modeling Study

A superprotonic conducting coordination polymer PCM-1 was synthesized. Joint experimental/modeling study revealed water-assisted proton dynamics through the formation of a long-range H-bonded network mediated by the Teixeira jump-diffusion model.

A molecular modeling study on small molecule gas transportation in poly (chloro-p-xylylene)

2010 ◽  
Vol 49 (1) ◽  
pp. S65-S69 ◽  
Author(s):  
Chunhai Lu ◽  
Shijun Ni ◽  
Wenkai Chen ◽  
Junsheng Liao ◽  
Chengjiang Zhang
Keyword(s):  
Molecular Modeling ◽  
Small Molecule ◽  
Molecular Modeling Study ◽  
Modeling Study

scholarly journals Experimental modeling study on the reignition phenomenon when opening a sealed fire zone

2009 ◽  
Vol 1 (1) ◽  
pp. 161-168 ◽  
Author(s):  
Fu-bao Zhou ◽  
Jin-hai Li ◽  
Shao He ◽  
Yu-sheng Liu
Keyword(s):  
Experimental Modeling ◽  
Fire Zone ◽  
Modeling Study

Experimental–Modeling Study of an Atmospheric-Pressure Helium Discharge Propagating in a Thin Dielectric Tube

2012 ◽  
Vol 40 (11) ◽  
pp. 2912-2919 ◽  
Author(s):  
Jaroslav Jansky ◽  
Qais Thanon Algwari ◽  
Deborah O'Connell ◽  
Anne Bourdon
Keyword(s):  
Atmospheric Pressure ◽  
Experimental Modeling ◽  
Dielectric Tube ◽  
Helium Discharge ◽  
Modeling Study

GROUNDWATER QUALITY IN THE PROXIMITY OF A POLLUTED LAKE: A JOINT EXPERIMENTAL-MODELING STUDY

2017 ◽  
Vol 16 (5) ◽  
pp. 1081-1091 ◽  
Author(s):  
Anca Marina Marinov ◽  
Irina Marinov ◽  
Mihaela Amalia Diminescu
Keyword(s):  
Groundwater Quality ◽  
Experimental Modeling ◽  
Polluted Lake ◽  
Modeling Study

3D ANALYSIS OF SMALL-SCALE FAULTING ASSOCIATED WITH OBLIQUE SHORTENING: A SCALED EXPERIMENTAL MODELING STUDY

2020 ◽  
Author(s):  
Olivia M. Marcelli ◽  
◽  
Bari R. Hanafi ◽  
Martha O. Withjack ◽  
Roy W. Schlische
Keyword(s):  
Experimental Modeling ◽  
Small Scale ◽  
3D Analysis ◽  
Modeling Study

A privileged ternary blend enabling non-fullerene organic photovoltaics with over 14% efficiency

2020 ◽  
Vol 8 (43) ◽  
pp. 15135-15141
Author(s):  
Jing Yan ◽  
Yuan-Qiu-Qiang Yi ◽  
Jianqi Zhang ◽  
Huanran Feng ◽  
Yanfeng Ma ◽  
...  
Keyword(s):  
Small Molecule ◽  
Organic Photovoltaics ◽  
Power Conversion ◽  
Ternary Blend ◽  
Conversion Efficiencies

Two non-fullerene small molecule acceptors, NT-4F and NT-4Cl, were designed and synthesized. Power conversion efficiencies of 11.44% and 14.55% were achieved for NT-4Cl-based binary and ternary devices, respectively.

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