Computational Study of Solvent Effects on the Molecular Self-Assembly of Tetrolic Acid in Solution and Implications for the Polymorph Formed from Crystallization

2008 ◽  
Vol 112 (26) ◽  
pp. 7794-7802 ◽  
Author(s):  
Jie Chen ◽  
Bernhardt L. Trout
Keyword(s):  
Solvent Effects ◽  
Self Assembly ◽  
Computational Study ◽  
Tetrolic Acid

Self-Assembly Structures of 1H-Indazoles in the Solution and Solid Phases: A Vibrational (IR, FIR, Raman, and VCD) Spectroscopy and Computational Study

ChemPhysChem ◽  
2013 ◽  
Vol 14 (14) ◽  
pp. 3355-3360 ◽  
Author(s):  
J. R. Avilés Moreno ◽  
M. M. Quesada Moreno ◽  
J. J. López González ◽  
R. M. Claramunt ◽  
C. López ◽  
...  
Keyword(s):  
Self Assembly ◽  
Computational Study ◽  
Solid Phases

scholarly journals Ligand and solvent effects in the formation and self-assembly of a metallosupramolecular cage

2017 ◽  
Vol 41 (3) ◽  
pp. 1179-1185 ◽  
Author(s):  
N. N. Adarsh ◽  
Amarnath Chakraborty ◽  
Màrius Tarrés ◽  
Surjendu Dey ◽  
Fernando Novio ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Single Crystal ◽  
Solvent Effects ◽  
Self Assembly ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray

A metallosupramolecular cage and a one-dimensional coordination polymer have been synthesized and structurally characterized by single crystal X-ray diffraction.

Carbon Dioxide Insertion into Diamines: A Computational Study of Solvent Effects

ChemSusChem ◽  
2012 ◽  
Vol 5 (10) ◽  
pp. 1967-1973 ◽  
Author(s):  
Wilhelm A. Eger ◽  
Alexander Genest ◽  
Bernhard Rieger ◽  
Notker Rösch
Keyword(s):  
Carbon Dioxide ◽  
Solvent Effects ◽  
Computational Study

Experimental and computational study of solvent effects on one- and two-photon absorption spectra of chlorinated harmines

2015 ◽  
Vol 17 (18) ◽  
pp. 12090-12099 ◽  
Author(s):  
Dalibor Hršak ◽  
Lotte Holmegaard ◽  
Anton S. Poulsen ◽  
Nanna H. List ◽  
Jacob Kongsted ◽  
...  
Keyword(s):  
Absorption Spectra ◽  
Solvent Effects ◽  
Computational Study ◽  
Photon Absorption ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Acetonitrile Solutions

We present a combined experimental and computational study of one- and two-photon absorption spectra of protonated chloroharmines in aqueous and acetonitrile solutions.

Chirality inversions in self-assembly of fibrillar superstructures: a computational study

Soft Matter ◽  
2013 ◽  
Vol 9 (33) ◽  
pp. 8005 ◽  
Author(s):  
Magdalena Gruziel ◽  
Wojciech Dzwolak ◽  
Piotr Szymczak
Keyword(s):  
Self Assembly ◽  
Computational Study
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