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Homogeneous and heterogeneous noncovalent dimers of formaldehyde and thioformaldehyde: structures, energetics, and vibrational frequencies.
J Phys Chem A. 2014 May 8;118(18):3376-85. doi: 10.1021/jp502588h. Epub 2014 Apr 28.
J Phys Chem A. 2014.
PMID: 24766482
Characterization of the potential energy surfaces of two small but challenging noncovalent dimers: (P2 )2 and (PCCP)2.
Van Dornshuld E, Tschumper GS.
Van Dornshuld E, et al.
J Comput Chem. 2014 Mar 5;35(6):479-87. doi: 10.1002/jcc.23522. Epub 2014 Jan 9.
J Comput Chem. 2014.
PMID: 24403058
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Peptide bond formation via glycine condensation in the gas phase.
Van Dornshuld E, Vergenz RA, Tschumper GS.
Van Dornshuld E, et al.
J Phys Chem B. 2014 Jul 24;118(29):8583-90. doi: 10.1021/jp504924c. Epub 2014 Jul 10.
J Phys Chem B. 2014.
PMID: 24992687
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Big Changes for Small Noncovalent Dimers: Revisiting the Potential Energy Surfaces of (P2)2 and (PCCP)2 with CCSD(T) Optimizations and Vibrational Frequencies.
Van Dornshuld E, Tschumper GS.
Van Dornshuld E, et al.
J Chem Theory Comput. 2016 Apr 12;12(4):1534-41. doi: 10.1021/acs.jctc.5b01105. Epub 2016 Mar 30.
J Chem Theory Comput. 2016.
PMID: 26999433
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Epigenetic modification, dehydration, and molecular crowding effects on the thermodynamics of i-motif structure formation from C-rich DNA.
Bhavsar-Jog YP, Van Dornshuld E, Brooks TA, Tschumper GS, Wadkins RM.
Bhavsar-Jog YP, et al. Among authors: van dornshuld e.
Biochemistry. 2014 Mar 18;53(10):1586-94. doi: 10.1021/bi401523b. Epub 2014 Mar 6.
Biochemistry. 2014.
PMID: 24564458
Free PMC article.
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Interstaple dithiol cross-linking in Au25(SR)18 nanomolecules: a combined mass spectrometric and computational study.
Jupally VR, Kota R, Van Dornshuld E, Mattern DL, Tschumper GS, Jiang DE, Dass A.
Jupally VR, et al. Among authors: van dornshuld e.
J Am Chem Soc. 2011 Dec 21;133(50):20258-66. doi: 10.1021/ja206436x. Epub 2011 Nov 22.
J Am Chem Soc. 2011.
PMID: 22107333
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Co-Localization of DNA i-Motif-Forming Sequences and 5-Hydroxymethyl-cytosines in Human Embryonic Stem Cells.
Bhavsar-Jog YP, Van Dornshuld E, Brooks TA, Tschumper GS, Wadkins RM.
Bhavsar-Jog YP, et al. Among authors: van dornshuld e.
Molecules. 2019 Oct 8;24(19):3619. doi: 10.3390/molecules24193619.
Molecules. 2019.
PMID: 31597270
Free PMC article.
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