scholarly journals Quantum Chemical Characterization of the Bonding ofN-Heterocyclic Carbenes to Cp2MI Compounds [M = Ce(III), U(III)]

2006 ◽  
Vol 45 (23) ◽  
pp. 9442-9447 ◽  
Author(s):  
Laura Gagliardi ◽  
Christopher J. Cramer
Keyword(s):  
Quantum Chemical ◽  
Chemical Characterization ◽  
Heterocyclic Carbenes

ChemInform Abstract: Synthesis, Structure Determination, and Quantum-Chemical Characterization of an Alternate HgNCN Polymorph.

ChemInform ◽  
2010 ◽  
Vol 33 (43) ◽  
pp. no-no
Author(s):  
Xiaohui Liu ◽  
Paul Mueller ◽  
Peter Kroll ◽  
Richard Dronskowski
Keyword(s):  
Structure Determination ◽  
Quantum Chemical ◽  
Chemical Characterization

scholarly journals Quantum Chemical Characterization of Hydrogen Bonding Sites in Three 4-(4-Halo-Phenyl)-6-(Furan-2-yl) Pyrimidin-2-Amine Derivatives

2017 ◽  
Vol 05 (03) ◽  
pp. 91-102 ◽  
Author(s):  
Yafigui Traore ◽  
Kafoumba Bamba ◽  
Nahossé Ziao ◽  
Sopi Thomas Affi ◽  
Mamadou Guy-Richard Kone
Keyword(s):  
Hydrogen Bonding ◽  
Quantum Chemical ◽  
Chemical Characterization

NMR and Quantum Chemical Characterization of Silicon-Substituted Carbocations

2008 ◽  
pp. 25-30 ◽  
Author(s):  
Hans-Ullrich Siehl ◽  
Bernhard Mller ◽  
Olga Malkina
Keyword(s):  
Quantum Chemical ◽  
Chemical Characterization

scholarly journals Quantum Chemical Characterization of Structural Single Fe(II) Sites in MIL-Type Metal–Organic Frameworks for the Oxidation of Methane to Methanol and Ethane to Ethanol

ACS Catalysis ◽  
2019 ◽  
Vol 9 (4) ◽  
pp. 2870-2879 ◽  
Author(s):  
Jenny G. Vitillo ◽  
Aditya Bhan ◽  
Christopher J. Cramer ◽  
Connie C. Lu ◽  
Laura Gagliardi
Keyword(s):  
Quantum Chemical ◽  
Metal Organic Frameworks ◽  
Chemical Characterization ◽  
Oxidation Of Methane ◽  
Metal Organic

Quantum Chemical Characterization of Cycloaddition Reactions between the Hydroxyallyl Cation and Dienes of Varying Nucleophilicity†

1998 ◽  
Vol 63 (16) ◽  
pp. 5523-5532 ◽  
Author(s):  
Christopher J. Cramer ◽  
Susan E. Barrows
Keyword(s):  
Quantum Chemical ◽  
Chemical Characterization ◽  
Cycloaddition Reactions

Effect of the Titanium Nanoparticle on the Quantum Chemical Characterization of the Liquid Sodium Nanofluid

2016 ◽  
Vol 120 (14) ◽  
pp. 3527-3539
Author(s):  
Ai Suzuki ◽  
Patrick Bonnaud ◽  
Mark C. Williams ◽  
Parasuraman Selvam ◽  
Nobutoshi Aoki ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Chemical Characterization ◽  
Liquid Sodium

NMR Spectroscopic and quantum chemical characterization of the (E )− and (Z )− isomers of the penta-1,3-dienyl-2-cation

2003 ◽  
Vol 16 (8) ◽  
pp. 577-581 ◽  
Author(s):  
Hans-Ullrich Siehl ◽  
Thomas Müller ◽  
Jürgen Gauss
Keyword(s):  
Quantum Chemical ◽  
Chemical Characterization ◽  
E And Z Isomers

Quantum-Chemical Characterization of the Origin of Dipole Formation at Molecular Organic/Organic Interfaces

2009 ◽  
Vol 19 (4) ◽  
pp. 624-633 ◽  
Author(s):  
Igor Avilov ◽  
Victor Geskin ◽  
Jérôme Cornil
Keyword(s):  
Quantum Chemical ◽  
Chemical Characterization ◽  
Organic Interfaces

Quantum Chemical Characterization of the Reactions of Guanine with the Phenylnitrenium Ion

2001 ◽  
Vol 66 (26) ◽  
pp. 8997-9004 ◽  
Author(s):  
Jerry M. Parks ◽  
George P. Ford ◽  
Christopher J. Cramer
Keyword(s):  
Quantum Chemical ◽  
Chemical Characterization
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