Computational Studies of the Aminolysis of Oxoesters and Thioesters in Aqueous Solution

Wei Yang; Dale G. Drueckhammer

doi:10.1021/ol006691l

Computational Studies of the Aminolysis of Oxoesters and Thioesters in Aqueous Solution

Organic Letters ◽

10.1021/ol006691l ◽

2000 ◽

Vol 2 (26) ◽

pp. 4133-4136 ◽

Cited By ~ 59

Author(s):

Wei Yang ◽

Dale G. Drueckhammer

Keyword(s):

Aqueous Solution ◽

Computational Studies

Download Full-text

Cavitand Complexes in Aqueous Solution: Collaborative Experimental and Computational Studies of the Wetting, Assembly, and Function of Nanoscopic Bowls in Water

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c11017 ◽

2021 ◽

Vol 125 (13) ◽

pp. 3253-3268

Author(s):

Henry S. Ashbaugh ◽

Bruce C. Gibb ◽

Paolo Suating

Keyword(s):

Aqueous Solution ◽

Computational Studies ◽

And Function

Download Full-text

Experimental and computational studies on the removal of crystal violet dye from aqueous solution using juglans regia leaves treated with acetic acid and L-arginine

International Journal of Environmental & Analytical Chemistry ◽

10.1080/03067319.2021.1982927 ◽

2021 ◽

pp. 1-21

Author(s):

Shahid Shafi Shah ◽

Dinesh Kumar ◽

Taniya Sharma ◽

Kamal K. Kapoor ◽

Rajinder K. Bamezai

Keyword(s):

Aqueous Solution ◽

Acetic Acid ◽

Crystal Violet ◽

Juglans Regia ◽

Computational Studies ◽

Crystal Violet Dye

Download Full-text

A mechanistic study on unexpected and solvent-based pH-tuneable role of benzylic pendant side-arm on N 2 O 2 -donor naphthodiaza-crown macrocyclic ligand as a sensitive fluorogenic chemosensor for Al 3+ in aqueous solution: X-ray, NMR, photophysical, and computational studies

Journal of Luminescence ◽

10.1016/j.jlumin.2017.04.041 ◽

2017 ◽

Vol 188 ◽

pp. 258-266 ◽

Cited By ~ 3

Author(s):

Bahram Ghanbari ◽

Mahsa Mahdavian ◽

Reza Kia ◽

Maciej Kubicki ◽

Paul R. Raithby

Keyword(s):

Aqueous Solution ◽

Macrocyclic Ligand ◽

Mechanistic Study ◽

Computational Studies ◽

X Ray

Download Full-text

The nature of species derived from [Pt(bipy)2]2+ in aqueous solution: X-ray structural, mass spectral, NMR, and computational studies

Polyhedron ◽

10.1016/j.poly.2013.05.004 ◽

2013 ◽

Vol 64 ◽

pp. 238-246 ◽

Cited By ~ 6

Author(s):

Germán Cavigliasso ◽

Robert Stranger ◽

Warrick K.C. Lo ◽

James D. Crowley ◽

Allan G. Blackman

Keyword(s):

Aqueous Solution ◽

Computational Studies ◽

X Ray ◽

Mass Spectral ◽

Structural Mass

Download Full-text

Density functional computational studies on the intermediate stage of the ribose and glycine Maillard reaction: Formation of deoxyosones in aqueous solution

Food Chemistry ◽

10.1016/j.foodchem.2007.04.061 ◽

2007 ◽

Vol 105 (4) ◽

pp. 1342-1348 ◽

Cited By ~ 1

Author(s):

Abraham F. Jalbout ◽

Md. Abul Haider Shipar ◽

Flavio F. Contreras-Torres

Keyword(s):

Aqueous Solution ◽

Maillard Reaction ◽

Density Functional ◽

Intermediate Stage ◽

Computational Studies ◽

Reaction Formation

Download Full-text

Spectroscopic and computational studies of erythrosine food dye protonation in aqueous solution

Dyes and Pigments ◽

10.1016/j.dyepig.2021.110028 ◽

2021 ◽

pp. 110028

Author(s):

Denys Snigur ◽

Maksym Fizer ◽

Alexander Chebotarev ◽

Olena Lukianova ◽

Olena Zhukovetska

Keyword(s):

Aqueous Solution ◽

Computational Studies ◽

Food Dye

Download Full-text

Adsorption of antiretroviral drugs, efavirenz and nevirapine from aqueous solution by graphene wool: Kinetic, equilibrium, thermodynamic and computational studies

Applied Surface Science Advances ◽

10.1016/j.apsadv.2021.100157 ◽

2021 ◽

Vol 6 ◽

pp. 100157

Author(s):

Adedapo O. Adeola ◽

Jurgens de Lange ◽

Patricia B.C. Forbes

Keyword(s):

Aqueous Solution ◽

Antiretroviral Drugs ◽

Computational Studies ◽

Equilibrium Thermodynamic ◽

Kinetic Equilibrium

Download Full-text

ChemInform Abstract: Computational Studies of the Aminolysis of Oxoesters and Thioesters in Aqueous Solution

ChemInform ◽

10.1002/chin.200110025 ◽

2001 ◽

Vol 32 (10) ◽

pp. no-no

Author(s):

Wei Yang ◽

Dale G. Drueckhammer

Keyword(s):

Aqueous Solution ◽

Computational Studies

Download Full-text

Hydration of the Carboxylate Group in Anti-Inflammatory Drugs: ATR-IR and Computational Studies of Aqueous Solution of Sodium Diclofenac

ACS Omega ◽

10.1021/acsomega.7b01034 ◽

2018 ◽

Vol 3 (1) ◽

pp. 302-313 ◽

Cited By ~ 6

Author(s):

Elena O. Levina ◽

Nikita V. Penkov ◽

Natalia N. Rodionova ◽

Sergey A. Tarasov ◽

Daria V. Barykina ◽

...

Keyword(s):

Aqueous Solution ◽

Computational Studies ◽

Carboxylate Group ◽

Sodium Diclofenac ◽

Inflammatory Drugs ◽

Anti Inflammatory

Download Full-text

Complexation of NpO2+ with Amine-Functionalized Diacetamide Ligands in Aqueous Solution: Thermodynamic, Structural, and Computational Studies

Inorganic Chemistry ◽

10.1021/acs.inorgchem.8b00654 ◽

2018 ◽

Vol 57 (12) ◽

pp. 6965-6972 ◽

Cited By ~ 4

Author(s):

Yang Gao ◽

Phuong V. Dau ◽

Bernard F. Parker ◽

John Arnold ◽

Andrea Melchior ◽

...

Keyword(s):

Aqueous Solution ◽

Computational Studies ◽

Amine Functionalized

Download Full-text