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

Synthesis, Structure Determination, and Quantum-Chemical Characterization of an Alternate HgNCN Polymorph†

Inorganic Chemistry ◽

10.1021/ic020133g ◽

2002 ◽

Vol 41 (16) ◽

pp. 4259-4265 ◽

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Author(s):

Xiaohui Liu ◽

Paul Müller ◽

Peter Kroll ◽

Richard Dronskowski

Keyword(s):

Structure Determination ◽

Quantum Chemical ◽

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

Computational Chemistry ◽

10.4236/cc.2017.53008 ◽

2017 ◽

Vol 05 (03) ◽

pp. 91-102 ◽

Cited By ~ 1

Author(s):

Yafigui Traore ◽

Kafoumba Bamba ◽

Nahossé Ziao ◽

Sopi Thomas Affi ◽

Mamadou Guy-Richard Kone

Keyword(s):

Hydrogen Bonding ◽

Quantum Chemical ◽

NMR and Quantum Chemical Characterization of Silicon-Substituted Carbocations

Organosilicon Chemistry III ◽

10.1002/9783527619900.ch3 ◽

2008 ◽

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Author(s):

Hans-Ullrich Siehl ◽

Bernhard Mller ◽

Olga Malkina

Keyword(s):

Quantum Chemical ◽

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 ◽

10.1021/acscatal.8b04813 ◽

2019 ◽

Vol 9 (4) ◽

pp. 2870-2879 ◽

Cited By ~ 27

Author(s):

Jenny G. Vitillo ◽

Aditya Bhan ◽

Christopher J. Cramer ◽

Connie C. Lu ◽

Laura Gagliardi

Keyword(s):

Quantum Chemical ◽

Metal Organic Frameworks ◽

Oxidation Of Methane ◽

Metal Organic

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

Inorganic Chemistry ◽

10.1021/ic061306v ◽

2006 ◽

Vol 45 (23) ◽

pp. 9442-9447 ◽

Cited By ~ 25

Author(s):

Laura Gagliardi ◽

Christopher J. Cramer

Keyword(s):

Quantum Chemical ◽

Heterocyclic Carbenes

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

The Journal of Organic Chemistry ◽

10.1021/jo9806005 ◽

1998 ◽

Vol 63 (16) ◽

pp. 5523-5532 ◽

Cited By ~ 47

Author(s):

Christopher J. Cramer ◽

Susan E. Barrows

Keyword(s):

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Cycloaddition Reactions

Polymethine dyes for all-optical switching applications: a quantum-chemical characterization of counter-ion and aggregation effects on the third-order nonlinear optical response

Chemical Science ◽

10.1039/c2sc20861j ◽

2012 ◽

Vol 3 (10) ◽

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Cited By ~ 56

Author(s):

Sukrit Mukhopadhyay ◽

Chad Risko ◽

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Jean-Luc Brédas

Keyword(s):

Quantum Chemical ◽

Optical Switching ◽

Nonlinear Optical ◽

Polymethine Dyes ◽

Third Order ◽

The Third ◽

All Optical ◽

All Optical Switching

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

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.5b11461 ◽

2016 ◽

Vol 120 (14) ◽

pp. 3527-3539

Author(s):

Ai Suzuki ◽

Patrick Bonnaud ◽

Mark C. Williams ◽

Parasuraman Selvam ◽

Nobutoshi Aoki ◽

...

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

Journal of Physical Organic Chemistry ◽

10.1002/poc.662 ◽

2003 ◽

Vol 16 (8) ◽

pp. 577-581 ◽

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Thomas Müller ◽

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

Advanced Functional Materials ◽

10.1002/adfm.200800632 ◽

2009 ◽

Vol 19 (4) ◽

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