Orientational order in liquid crystals by combiningH2andC13nuclear magnetic resonance spectroscopy and density functional theory calculations

Liquid Crystals ◽

Magnetic Resonance ◽

Density Functional ◽

Orientational Order ◽

Resonance Spectroscopy ◽

Functional Theory

Combining Nuclear Magnetic Resonance Spectroscopy and Density Functional Theory Calculations to Characterize Carvedilol Polymorphs

Journal of Pharmaceutical Sciences ◽

10.1002/jps.24641 ◽

2016 ◽

Vol 105 (9) ◽

pp. 2648-2655 ◽

Cited By ~ 2

Author(s):

Carlos A. Rezende ◽

Rosane A.S. San Gil ◽

Leandro B. Borré ◽

José Ricardo Pires ◽

Viviane S. Vaiss ◽

...

Keyword(s):

Magnetic Resonance ◽

Density Functional ◽

Resonance Spectroscopy ◽

Functional Theory ◽

ACS Symposium Series - Understanding Lignocellulose: Synergistic Computational and Analytic Methods ◽

Integrating Density Functional Theory Calculations with Vibrational and Nuclear Magnetic Resonance Spectroscopy

10.1021/bk-2019-1338.ch006 ◽

2019 ◽

pp. 89-102

Author(s):

James D. Kubicki ◽

Hui Yang ◽

Seong H. Kim

Keyword(s):

Magnetic Resonance ◽

Density Functional ◽

Resonance Spectroscopy ◽

Functional Theory ◽

Complexation in situ of 1‐methylpiperidine, 1,2‐dimethylpyrrolidin, and 1,2‐dimethylpiperidine with rhodium(II) tetracarboxylates: Nuclear magnetic resonance spectroscopy, chiral recognition, and density functional theory studies

Chirality ◽

10.1002/chir.23345 ◽

2021 ◽

Vol 33 (10) ◽

pp. 660-674

Author(s):

Agnieszka Sadlej ◽

Jarosław Jaźwiński

Keyword(s):

Magnetic Resonance ◽

Density Functional ◽

Chiral Recognition ◽

Resonance Spectroscopy ◽

Functional Theory

Density Functional Theory Calculations of the Nuclear Magnetic Resonance Parameters for Two Dihydrochalcones

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2012.2123 ◽

2012 ◽

Vol 9 (7) ◽

pp. 953-956 ◽

Cited By ~ 2

Author(s):

Silvana deO. Silva ◽

MarivaldoJ. C. Corrêa ◽

HeribertoR. Bitencourt ◽

Waldinei Rosa Monteiro ◽

Jerônimo Lameira ◽

...

Keyword(s):

Magnetic Resonance ◽

Density Functional ◽

Functional Theory ◽

Resonance Parameters ◽

Magnetic Resonance Parameters ◽

Comment on ‘‘Nuclear magnetic resonance spectroscopy in cholesteric liquid crystals. I. Orientational order parameter measurements’’

The Journal of Chemical Physics ◽

10.1063/1.446186 ◽

1983 ◽

Vol 79 (7) ◽

pp. 3605-3605 ◽

Cited By ~ 2

Author(s):

Peter J. Collings

Keyword(s):

Liquid Crystals ◽

Magnetic Resonance ◽

Order Parameter ◽

Orientational Order ◽

Resonance Spectroscopy ◽

Orientational Order Parameter ◽

Cholesteric Liquid Crystals

Identification and Conformational Study of Stable Radiation-Induced Defects in Sucrose Single Crystals using Density Functional Theory Calculations of Electron Magnetic Resonance Parameters

The Journal of Physical Chemistry B ◽

10.1021/jp712004g ◽

2008 ◽

Vol 112 (24) ◽

pp. 7298-7307 ◽

Cited By ~ 20

Author(s):

H. De Cooman ◽

E. Pauwels ◽

H. Vrielinck ◽

E. Sagstuen ◽

F. Callens ◽

...

Keyword(s):

Magnetic Resonance ◽

Single Crystals ◽

Density Functional ◽

Conformational Study ◽

Functional Theory ◽

Magnetic Resonance Parameters ◽

Radiation Induced ◽

Induced Defects

Gallium preference for the occupation of tetrahedral sites in Lu3(Al5-xGax)O12 multicomponent garnet scintillators according to solid-state nuclear magnetic resonance and density functional theory calculations

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2018.10.027 ◽

2019 ◽

Vol 126 ◽

pp. 93-104 ◽

Cited By ~ 5

Author(s):

Yu.O. Zagorodniy ◽

V. Chlan ◽

H. Štěpánková ◽

Y. Fomichov ◽

J. Pejchal ◽

...

Keyword(s):

Solid State ◽

Magnetic Resonance ◽

Density Functional ◽

Functional Theory ◽

Tetrahedral Sites ◽

Assessment of amide I spectroscopic maps for a gas-phase peptide using IR-UV double-resonance spectroscopy and density functional theory calculations

The Journal of Chemical Physics ◽

10.1063/1.4882059 ◽

2014 ◽

Vol 140 (22) ◽

pp. 224111 ◽

Cited By ~ 17

Author(s):

J. K. Carr ◽

A. V. Zabuga ◽

S. Roy ◽

T. R. Rizzo ◽

J. L. Skinner

Keyword(s):

Gas Phase ◽

Density Functional ◽

Double Resonance ◽

Resonance Spectroscopy ◽

Functional Theory ◽

Double Resonance Spectroscopy

Characterization of 2,5-diaryl-1,3,4-oxadiazolines by multinuclear magnetic resonance and density functional theory calculations. Investigation on a case of very remote Hammett correlation

Magnetic Resonance in Chemistry ◽

10.1002/mrc.2453 ◽

2009 ◽

Vol 47 (9) ◽

pp. 727-733 ◽

Cited By ~ 7

Author(s):

Giovanni Cerioni ◽

Elias Maccioni ◽

Maria Cristina Cardia ◽

Sara Vigo ◽

Francesca Mocci

Keyword(s):

Magnetic Resonance ◽

Density Functional ◽

Functional Theory ◽

Hammett Correlation ◽

Multinuclear Magnetic Resonance

Free radicals generated during oxidation of green tea polyphenols: Electron paramagnetic resonance spectroscopy combined with density functional theory calculations

Free Radical Biology and Medicine ◽

10.1016/j.freeradbiomed.2009.01.004 ◽

2009 ◽

Vol 46 (8) ◽

pp. 1076-1088 ◽

Cited By ~ 57

Author(s):

Joyce Ferreira Severino ◽

Bernard A. Goodman ◽

Christopher W.M. Kay ◽

Klaus Stolze ◽

Daniel Tunega ◽

...

Keyword(s):

Electron Paramagnetic Resonance ◽

Density Functional ◽

Electron Paramagnetic Resonance Spectroscopy ◽

Green Tea Polyphenols ◽

Resonance Spectroscopy ◽

Paramagnetic Resonance ◽

Functional Theory ◽

Electron Paramagnetic