doi.bio/gregory_s_tschumper

Gregory S. Tschumper

Early Life and Education

Gregory S. Tschumper obtained a B.S. from Winona State University in 1995 and a Ph.D. from the University of Georgia in 1999.

Career

Tschumper was a Postdoctoral Fellow at ETH Zürich in Switzerland from 1999 to 2000 and at Emory University from 2000 to 2001. He then joined the University of Mississippi as an Assistant Professor in 2001, becoming an Associate Professor in 2007 and a full Professor in 2013. He served as Chair of the University of Mississippi Department of Chemistry & Biochemistry from 2016 to 2023.

Research

Tschumper's research interests include physical chemistry, theoretical chemistry, computational chemistry, non-covalent interactions, hydrogen bonding, and van der Waals forces. His research group focuses on obtaining insights into chemical problems, particularly in biological, and organic chemistry through theory and computation rather than experimentation.

Awards and Recognition

Southeastern Conference (SEC) Faculty Achievement Award
Sigma Xi (The Scientific Research Honor Society) Member
University of Mississippi Faculty Achievement Award
Cora Lee Graham Award for Outstanding Teacher of Freshmen
University of Mississippi Faculty Research Fellow
Research Corporation Research Innovation Award
American Association for the Advancement of Science (AAAS) Fellow
University of Mississippi Distinguished Research and Creative Achievement Award

Selected Publications

Rock CA, Arradondo SN, Tschumper GS. Solvation of Isoelectronic Halide and Alkali Metal Ions by Argon Atoms. The Journal of Physical Chemistry. A. 125: 10524-10531. PMID 34851634 DOI: 10.1021/acs.jpca.1c08069
Williams AE, Hammer NI, Tschumper GS. Relative energetics of CHCHO, CHCHOH, and CHCHOH radical products from ethanol dehydrogenation. The Journal of Chemical Physics. 155: 114306. PMID 34551536 DOI: 10.1063/5.0062809
Abdo YA, Tschumper GS. Competition between Solvent-Solvent and Solvent-Solute Interactions in the Microhydration of the Hexafluorophosphate Anion, PF(HO). The Journal of Physical Chemistry. A. PMID 32993285 DOI: 10.1021/acs.jpca.0c06466
Perkins MA, Barlow KR, Dreux KM, Tschumper GS. Anchoring the hydrogen sulfide dimer potential energy surface to juxtapose (HS) with (HO). The Journal of Chemical Physics. 152: 214306. PMID 32505140 DOI: 10.1063/5.0008929
Sexton TM, Van Benschoten WZ, Tschumper GS. Dissociation energy of the HCN⋯HF dimer Chemical Physics Letters. 748: 137382. DOI: 10.1016/J.Cplett.2020.137382
Smith BE, Carr JM, Tschumper GS. Energetics in Epoxide, Thiirane, Aziridine and Phosphirane Containing Cyclopentanols: Effects of Intramolecular OH⋯O, S, N and P Contacts. Molecules (Basel, Switzerland). 24. PMID 31295845 DOI: 10.3390/Molecules24142523
Pittman KM, McAlexander HR, Tschumper GS, Shukla MK. Computational Investigation on Electronic Structures and Properties of 4,6-bis(nitroimino)-1,3,5-triazinan-2-one: An Insensitive Munition Compound. The Journal of Physical Chemistry. A. PMID 30920835 DOI: 10.1021/Acs.Jpca.9B00736
Johnson SN, Ellington TL, Ngo DT, Nevarez JL, Sparks N, Rheingold AL, Watkins DL, Tschumper GS. Probing non-covalent interactions driving molecular assembly in organo-electronic building blocks Crystengcomm. 21: 3151-3157. DOI: 10.1039/C9Ce00219G
Steen AE, Ellington TL, Nguyen ST, Balasubramaniam S, Chandrasiri I, Delcamp JH, Tschumper GS, Hammer NI, Watkins DL. Characterization of Furan- and Thiophene-Containing Bispyridyl Oligomers via Spectroscopic, Electrochemical, and TD-DFT Methods The Journal of Physical Chemistry C. 123: 15176-15185. DOI: 10.1021/Acs.Jpcc.9B01510
Lee SP, Johnson SN, Ellington TL, Mirsaleh-Kohan N, Tschumper GS. Energetics and Vibrational Signatures of Nucleobase Argyrophilic Interactions. Acs Omega. 3: 12936-12943. PMID 31458017 DOI: 10.1021/acsomega.8b01895
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Gregory S Tschumper)

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Gregory Tschumper University of Mississippi http://quantum.chem.olemiss.edu/ Atomic and molecular electron affinities: photoelectron experiments and theoretical computations JC Rienstra-Kiracofe, GS Tschumper, HF Schaefer, S Nandi, GB Ellison Chemical reviews 102 (1), 231-282, 2002 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:u5HHmVD_uO8C Cited by: 1442

Anchoring the water dimer potential energy surface with explicitly correlated computations and focal point analyses GS Tschumper, ML Leininger, BC Hoffman, EF Valeev, HF Schaefer III, … The Journal of chemical physics 116 (2), 690-701, 2002 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:u-x6o8ySG0sC Cited by: 317

CCSD (T) Complete Basis Set Limit Relative Energies for Low-Lying Water Hexamer Structures DM Bates, GS Tschumper The Journal of Physical Chemistry A 113 (15), 3555-3559, 2009 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:Tyk-4Ss8FVUC Cited by: 237

Infrared cavity ringdown spectroscopy of methanol clusters: Single donor hydrogen bonding RA Provencal, JB Paul, K Roth, C Chapo, RN Casaes, RJ Saykally, … The Journal of chemical physics 110 (9), 4258-4267, 1999 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:d1gkVwhDpl0C Cited by: 169

Hydrogen bonding in alcohol clusters: A comparative study by infrared cavity ringdown laser absorption spectroscopy RA Provencal, RN Casaes, K Roth, JB Paul, CN Chapo, RJ Saykally, … The Journal of Physical Chemistry A 104 (7), 1423-1429, 2000 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:2osOgNQ5qMEC Cited by: 142

Epigenetic modification, dehydration, and molecular crowding effects on the thermodynamics of i-motif structure formation from C-rich DNA YP Bhavsar-Jog, E Van Dornshuld, TA Brooks, GS Tschumper, … Biochemistry 53 (10), 1586-1594, 2014 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:blknAaTinKkC Cited by: 127

Predicting electron affinities with density functional theory: Some positive results for negative ions GS Tschumper, HF Schaefer III The Journal of chemical physics 107 (7), 2529-2541, 1997 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:9yKSN-GCB0IC Cited by: 127

Ab Initio Studies of π⊙⊙⊙ π Interactions: The Effects of Quadruple Excitations BW Hopkins, GS Tschumper The Journal of Physical Chemistry A 108 (15), 2941-2948, 2004 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:UeHWp8X0CEIC Cited by: 110

Indolizine‐Based Donors as Organic Sensitizer Components for Dye‐Sensitized Solar Cells AJ Huckaba, F Giordano, LE McNamara, KM Dreux, NI Hammer, … Advanced Energy Materials 5 (7), 1401629, 2015 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:ns9cj8rnVeAC Cited by: 101

Interstaple Dithiol Cross-Linking in Au25 (SR) 18 Nanomolecules: A Combined Mass Spectrometric and Computational Study VR Jupally, R Kota, EV Dornshuld, DL Mattern, GS Tschumper, D Jiang, … Journal of the American Chemical Society 133 (50), 20258-20266, 2011 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:QIV2ME_5wuYC Cited by: 92

Development of a 3-body: many-body integrated fragmentation method for weakly bound clusters and application to water clusters (H2O) n= 3− 10, 16, 17 DM Bates, JR Smith, T Janowski, GS Tschumper The Journal of chemical physics 135 (4), 2011 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:dhFuZR0502QC Cited by: 83

Anchoring the potential energy surface of the cyclic water trimer JA Anderson, K Crager, L Fedoroff, GS Tschumper The Journal of chemical physics 121 (22), 11023-11029, 2004 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:Y0pCki6q_DkC Cited by: 83

Real versus artifactual symmetry-breaking effects in Hartree–Fock, density-functional, and coupled-cluster methods NJ Russ, TD Crawford, GS Tschumper The Journal of chemical physics 120 (16), 7298-7306, 2004 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:zYLM7Y9cAGgC Cited by: 83

Structures, thermochemistry, and electron affinities of the PFn and PF− n series, n= 1–6 GS Tschumper, JT Fermann, HF Schaefer III The Journal of chemical physics 104 (10), 3676-3683, 1996 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:qjMakFHDy7sC Cited by: 82

Benchmark structures and harmonic vibrational frequencies near the CCSD (T) complete basis set limit for small water clusters:(H2O) n= 2, 3, 4, 5, 6 JC Howard, GS Tschumper Journal of chemical theory and computation 11 (5), 2126-2136, 2015 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:RGFaLdJalmkC Cited by: 81

Intrinsic conformational preferences of substituted cyclohexanes and tetrahydropyrans evaluated at the CCSD (T) complete basis set limit: implications for the anomeric effect AJ Weldon, TL Vickrey, GS Tschumper The Journal of Physical Chemistry A 109 (48), 11073-11079, 2005 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:ufrVoPGSRksC Cited by: 79

Multicentered integrated QM: QM methods for weakly bound clusters: An efficient and accurate 2-body: many-body treatment of hydrogen bonding and van der Waals interactions GS Tschumper Chemical physics letters 427 (1-3), 185-191, 2006 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:eQOLeE2rZwMC Cited by: 78

A multicentered approach to integrated QM/QM calculations. Applications to multiply hydrogen bonded systems BW Hopkins, GS Tschumper Journal of computational chemistry 24 (13), 1563-1568, 2003 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:Se3iqnhoufwC Cited by: 77

Getting down to the Fundamentals of Hydrogen Bonding: Anharmonic Vibrational Frequencies of (HF) 2 and (H2O) 2 from Ab Initio Electronic Structure Computations JC Howard, JL Gray, AJ Hardwick, LT Nguyen, GS Tschumper Journal of Chemical Theory and Computation 10 (12), 5426-5435, 2014 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:O3NaXMp0MMsC Cited by: 72

Effects of Hydrogen Bonding on Vibrational Normal Modes of Pyrimidine AA Howard, GS Tschumper, NI Hammer The Journal of Physical Chemistry A 114 (25), 6803-6810, 2010 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:mVmsd5A6BfQC Cited by: 71

Co-authors

Nathan I. Hammer g20EOjwAAAAJ

Henry F. Schaefer III R6NrFd4AAAAJ

Eric Van Dornshuld 3c7qc0QAAAAJ

Jared Delcamp MS8iVPoAAAAJ

John T Kelly G9LylfEAAAAJ

Richard J. SAYKALLY 3pgW21QAAAAJ

Michael Graetzel B0h47WAAAAAJ

Nazeeruddin j4rH8MkAAAAJ

Edward Valeev 4QxcieMAAAAJ

Amala Dass pS7cBrMAAAAJ

Dana N. "Nikki" Reinemann jlC1c08AAAAJ

Aron Huckaba vLc7HY0AAAAJ

Rajesh Kota, PhD llUJkTQAAAAJ

De-en Jiang BR4f0JYAAAAJ

T. Daniel Crawford Hs_TvWMAAAAJ

Trisha Vickrey kf4bpwYAAAAJ

Edward G. Hohenstein VRuE5SMAAAAJ

David Sherrill PN-rzYUAAAAJ

Rich G. Carter 1-wNDp8AAAAJ

Michael Heaven K8LAzZwAAAAJ

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Co-authors

Nathan I. Hammer googlescholarauthor_id:g20EOjwAAAAJ

Henry F. Schaefer III googlescholarauthor_id:R6NrFd4AAAAJ

Eric Van Dornshuld googlescholarauthor_id:3c7qc0QAAAAJ

Jared Delcamp googlescholarauthor_id:MS8iVPoAAAAJ

John T Kelly googlescholarauthor_id:G9LylfEAAAAJ

Richard J. SAYKALLY googlescholarauthor_id:3pgW21QAAAAJ

Michael Graetzel googlescholarauthor_id:B0h47WAAAAAJ

Nazeeruddin googlescholarauthor_id:j4rH8MkAAAAJ

Edward Valeev googlescholarauthor_id:4QxcieMAAAAJ

Amala Dass googlescholarauthor_id:pS7cBrMAAAAJ

Dana N. "Nikki" Reinemann googlescholarauthor_id:jlC1c08AAAAJ

Aron Huckaba googlescholarauthor_id:vLc7HY0AAAAJ

Rajesh Kota, PhD googlescholarauthor_id:llUJkTQAAAAJ

De-en Jiang googlescholarauthor_id:BR4f0JYAAAAJ

T. Daniel Crawford googlescholarauthorid:HsTvWMAAAAJ

Trisha Vickrey googlescholarauthor_id:kf4bpwYAAAAJ

Edward G. Hohenstein googlescholarauthor_id:VRuE5SMAAAAJ

David Sherrill googlescholarauthor_id:PN-rzYUAAAAJ

Rich G. Carter googlescholarauthor_id:1-wNDp8AAAAJ

Michael Heaven googlescholarauthor_id:K8LAzZwAAAAJ

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Co-authors

Nathan I. Hammer googlescholarauthorid nathani._hammer.md:g20EOjwAAAAJ

Henry F. Schaefer III googlescholarauthorid henryf.schaeferiii.md:R6NrFd4AAAAJ

Eric Van Dornshuld googlescholarauthorid ericvan_dornshuld.md:3c7qc0QAAAAJ

Jared Delcamp googlescholarauthorid jareddelcamp.md:MS8iVPoAAAAJ

John T Kelly googlescholarauthorid johnt_kelly.md:G9LylfEAAAAJ

Richard J. SAYKALLY googlescholarauthorid richardj._saykally.md:3pgW21QAAAAJ

Michael Graetzel googlescholarauthorid michaelgraetzel.md:B0h47WAAAAAJ

Nazeeruddin googlescholarauthor_id nazeeruddin.md:j4rH8MkAAAAJ

Edward Valeev googlescholarauthorid edwardvaleev.md:4QxcieMAAAAJ

Amala Dass googlescholarauthorid amaladass.md:pS7cBrMAAAAJ

Dana N. "Nikki" Reinemann googlescholarauthorid danan."nikki"reinemann.md:jlC1c08AAAAJ

Aron Huckaba googlescholarauthorid aronhuckaba.md:vLc7HY0AAAAJ

Rajesh Kota, PhD googlescholarauthorid rajeshkota,_phd.md:llUJkTQAAAAJ

De-en Jiang googlescholarauthorid de-enjiang.md:BR4f0JYAAAAJ

T. Daniel Crawford googlescholarauthorid t.danielcrawford.md:HsTvWMAAAAJ

Trisha Vickrey googlescholarauthorid trishavickrey.md:kf4bpwYAAAAJ

Edward G. Hohenstein googlescholarauthorid edwardg._hohenstein.md:VRuE5SMAAAAJ

David Sherrill googlescholarauthorid davidsherrill.md:PN-rzYUAAAAJ

Rich G. Carter googlescholarauthorid richg._carter.md:1-wNDp8AAAAJ

Michael Heaven googlescholarauthorid michaelheaven.md:K8LAzZwAAAAJ

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Gregory Tschumper

University of Mississippi

http://quantum.chem.olemiss.edu/

Atomic and molecular electron affinities: photoelectron experiments and theoretical computations JC Rienstra-Kiracofe, GS Tschumper, HF Schaefer, S Nandi, GB Ellison Chemical reviews 102 (1), 231-282, 2002 Link: https://scholar.google.com/citations?viewop=viewcitation&hl=en&user=JjZUyBwAAAAJ&citationforview=JjZUyBwAAAAJ:u5HHmVD_uO8C