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Benchmarking the Fluxional Processes of Organometallic Piano-Stool Complexes
The correlation consistent Composite Approach for transition metals (ccCA-TM) and density functional theory (DFT) computations have …
Nathan C. Frey
,
Eric Van Dornshuld
,
Charles Edwin Webster
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DOI
Peptide Bond Formation via Glycine Condensation in the Gas Phase
Four unique gas phase mechanisms for peptide bond formation between two glycine molecules have been mapped out with quantum mechanical …
Eric Van Dornshuld
,
Robert A. Vergenz
,
Gregory S. Tschumper
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DOI
Homogeneous and Heterogeneous Noncovalent Dimers of Formaldehyde and Thioformaldehyde: Structures, Energetics, and Vibrational Frequencies
This work provides the first characterization of five stationary points of the homogeneous thioformaldehyde dimer, (CH
2
S)
2
, and seven …
Eric Van Dornshuld
,
Christina M. Holy
,
Gregory S. Tschumper
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DOI
Interstaple Dithiol Cross-Linking in Au25(SR)18 Nanomolecules: A Combined Mass Spectrometric and Computational Study
A systematic study of cross-linking chemistry of the Au
25
(SR)
18
nanomolecule by dithiols of varying chain length, HS–(CH
2
)
n
–SH where
n …
Vijay Reddy Jupally
,
Rajesh Kota
,
Eric Van Dornshuld
,
Daniell L. Mattern
,
Gregory S. Tschumper
,
De-en Jiang
,
Amala Dass
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DOI
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