scholarly journals Unravelling moisture-induced CO2 chemisorption mechanisms in amine-modified silica sorbents at the molecular scale

2021 ◽  
Author(s):  
Mariana Sardo ◽  
Rui Afonso ◽  
Joanna Juźków ◽  
Marlene Pacheco ◽  
Marta Bordonhos ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Computational Study ◽  
Modified Silica ◽  
Partial Pressures ◽  
Molecular Scale ◽  
Co2 Chemisorption ◽  
Influence Of Water

This work entails a comprehensive solid-state NMR and computational study of the influence of water and CO2 partial pressures on the CO2-adducts formed in amine-grafted silica sorbents. Our approach provides...

35Cl Solid-State NMR and Computational Study of Chlorine Halogen Bond Donors in Single-Component Crystalline Chloronitriles

2016 ◽  
Vol 120 (20) ◽  
pp. 11121-11130 ◽  
Author(s):  
Patrick M. J. Szell ◽  
David L. Bryce
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Computational Study ◽  
Halogen Bond ◽  
Single Component

Combined 135/137Ba Solid-State NMR at an Ultrahigh Magnetic Field and Computational Study of β-Barium Borate

2009 ◽  
Vol 113 (50) ◽  
pp. 21196-21201 ◽  
Author(s):  
Andre Sutrisno ◽  
Cheng Lu ◽  
R. H. Lipson ◽  
Yining Huang
Keyword(s):  
Magnetic Field ◽  
Solid State ◽  
Solid State Nmr ◽  
Computational Study ◽  
Barium Borate ◽  
Ultrahigh Magnetic Field

scholarly journals The Influence of Water on the Nanomechanical Behavior of the Plant Biopolyester Cutin as Studied by AFM and Solid-State NMR

2000 ◽  
Vol 79 (5) ◽  
pp. 2761-2767 ◽  
Author(s):  
Andrew N. Round ◽  
Bin Yan ◽  
Soa Dang ◽  
Racha Estephan ◽  
Ruth E. Stark ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Influence Of Water

A Solid-State NMR, X-ray Diffraction, and ab Initio Computational Study of Hydrogen-Bond Structure and Dynamics of Pyrazole-4-Carboxylic Acid Chains

2001 ◽  
Vol 123 (32) ◽  
pp. 7898-7906 ◽  
Author(s):  
Concepción Foces-Foces ◽  
Aurea Echevarría ◽  
Nadine Jagerovic ◽  
Ibon Alkorta ◽  
José Elguero ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Carboxylic Acid ◽  
Ab Initio ◽  
Solid State Nmr ◽  
Computational Study ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure And Dynamics

Template-Aluminosilicate Structures at the Early Stages of Zeolite ZSM-5 Formation. A Combined Preparative, Solid-state NMR, and Computational Study

2005 ◽  
Vol 109 (48) ◽  
pp. 22767-22774 ◽  
Author(s):  
Pieter C. M. M. Magusin ◽  
Vadim E. Zorin ◽  
Alexander Aerts ◽  
Christophe J. Y. Houssin ◽  
Alexei L. Yakovlev ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Computational Study ◽  
Early Stages

Proton Probability Distribution in the O···H···O Low-Barrier Hydrogen Bond: A Combined Solid-State NMR and Quantum Chemical Computational Study of Dibenzoylmethane and Curcumin

2016 ◽  
Vol 120 (45) ◽  
pp. 11692-11704 ◽  
Author(s):  
Xianqi Kong ◽  
Andreas Brinkmann ◽  
Victor Terskikh ◽  
Roderick E. Wasylishen ◽  
Guy M. Bernard ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Probability Distribution ◽  
Solid State Nmr ◽  
Quantum Chemical ◽  
Computational Study

Coordination polymers of paramagnetic bis(leucinato)copper(ii) diastereomers: experimental and computational study of the stereoisomerism and conformations

CrystEngComm ◽  
2020 ◽  
Vol 22 (34) ◽  
pp. 5587-5600
Author(s):  
Darko Vušak ◽  
Jelena Pejić ◽  
Mia Jurković ◽  
Gábor Szalontai ◽  
Jasmina Sabolović
Keyword(s):  
Molecular Modeling ◽  
Solid State ◽  
Coordination Polymers ◽  
Solid State Nmr ◽  
Computational Study ◽  
X Ray Diffraction ◽  
X Ray

The syntheses, X-ray diffraction, solid state NMR and molecular modeling determined (dis)similarities between the coordination polymers of two bis(leucinato)copper(ii) diastereomers.

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