Gordon MS - Search Results

1

Analysis of bonding motifs in unusual molecules I: planar hexacoordinated carbon atoms.

Del Angel Cruz D, Ferreras KN, Harville T, Schoendorff G, Gordon MS. Del Angel Cruz D, et al. Among authors: gordon ms. Phys Chem Chem Phys. 2024 Aug 14;26(32):21395-21406. doi: 10.1039/d4cp01800a. Phys Chem Chem Phys. 2024. PMID: 39078376

2

Gas phase computational studies on the competition between nitrile and water ligands in uranyl complexes.

Schoendorff G, de Jong WA, Gordon MS, Windus TL. Schoendorff G, et al. Among authors: gordon ms. J Phys Chem A. 2010 Aug 26;114(33):8902-12. doi: 10.1021/jp103227x. J Phys Chem A. 2010. PMID: 20608719

3

On the formation of "hypercoordinated" uranyl complexes.

Schoendorff G, de Jong WA, Van Stipdonk MJ, Gibson JK, Rios D, Gordon MS, Windus TL. Schoendorff G, et al. Among authors: gordon ms. Inorg Chem. 2011 Sep 5;50(17):8490-3. doi: 10.1021/ic201080z. Epub 2011 Aug 8. Inorg Chem. 2011. PMID: 21823574

4

The dispersion interaction between quantum mechanics and effective fragment potential molecules.

Smith QA, Ruedenberg K, Gordon MS, Slipchenko LV. Smith QA, et al. Among authors: gordon ms. J Chem Phys. 2012 Jun 28;136(24):244107. doi: 10.1063/1.4729535. J Chem Phys. 2012. PMID: 22755565

5

Roles of acetone and diacetone alcohol in coordination and dissociation reactions of uranyl complexes.

Rios D, Schoendorff G, Van Stipdonk MJ, Gordon MS, Windus TL, Gibson JK, de Jong WA. Rios D, et al. Among authors: gordon ms. Inorg Chem. 2012 Dec 3;51(23):12768-75. doi: 10.1021/ic3015964. Epub 2012 Nov 12. Inorg Chem. 2012. PMID: 23146003

6

A comprehensive analysis of molecule-intrinsic quasi-atomic, bonding, and correlating orbitals. I. Hartree-Fock wave functions.

West AC, Schmidt MW, Gordon MS, Ruedenberg K. West AC, et al. Among authors: gordon ms. J Chem Phys. 2013 Dec 21;139(23):234107. doi: 10.1063/1.4840776. J Chem Phys. 2013. PMID: 24359352

7

A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. III. The Covalent Bonding Structure of Urea.

West AC, Schmidt MW, Gordon MS, Ruedenberg K. West AC, et al. Among authors: gordon ms. J Phys Chem A. 2015 Oct 15;119(41):10368-75. doi: 10.1021/acs.jpca.5b03400. Epub 2015 Oct 2. J Phys Chem A. 2015. PMID: 26371867

8

A Comprehensive Analysis in Terms of Molecule-Intrinsic Quasi-Atomic Orbitals. IV. Bond Breaking and Bond Forming along the Dissociative Reaction Path of Dioxetane.

West AC, Schmidt MW, Gordon MS, Ruedenberg K. West AC, et al. Among authors: gordon ms. J Phys Chem A. 2015 Oct 15;119(41):10376-89. doi: 10.1021/acs.jpca.5b03402. Epub 2015 Oct 5. J Phys Chem A. 2015. PMID: 26371996

9

A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. II. Strongly Correlated MCSCF Wave Functions.

West AC, Schmidt MW, Gordon MS, Ruedenberg K. West AC, et al. Among authors: gordon ms. J Phys Chem A. 2015 Oct 15;119(41):10360-7. doi: 10.1021/acs.jpca.5b03399. Epub 2015 Oct 1. J Phys Chem A. 2015. PMID: 26376320

10

Thermodynamics and kinetics of graphene chemistry: a graphene hydrogenation prototype study.

Pham BQ, Gordon MS. Pham BQ, et al. Among authors: gordon ms. Phys Chem Chem Phys. 2016 Dec 7;18(48):33274-33281. doi: 10.1039/c6cp05687c. Phys Chem Chem Phys. 2016. PMID: 27896344

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