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Reactive desorption electrospray ionization mass spectrometry (DESI-MS) of natural products of a marine alga.
Published in:
Analytical & Bioanalytical Chemistry, 2009, v. 394, n. 1, p. 245, doi. 10.1007/s00216-009-2674-3
By:
- Nyadong, Leonard;
- Hohenstein, Edward G.;
- Galhena, Asiri;
- Lane, Amy L.;
- Kubanek, Julia;
- Sherrill, C. David;
- Fernández, Facundo M.
Publication type:
Article
Cover Image, Volume 11, Issue 2.
Published in:
WIREs: Computational Molecular Science, 2021, v. 11, n. 2, p. 1, doi. 10.1002/wcms.1523
By:
- Seritan, Stefan;
- Bannwarth, Christoph;
- Fales, Bryan S.;
- Hohenstein, Edward G.;
- Isborn, Christine M.;
- Kokkila‐Schumacher, Sara I. L.;
- Li, Xin;
- Liu, Fang;
- Luehr, Nathan;
- Snyder, James W.;
- Song, Chenchen;
- Titov, Alexey V.;
- Ufimtsev, Ivan S.;
- Wang, Lee‐Ping;
- Martínez, Todd J.
Publication type:
Article
TeraChem: A graphical processing unit‐accelerated electronic structure package for large‐scale ab initio molecular dynamics.
Published in:
WIREs: Computational Molecular Science, 2021, v. 11, n. 2, p. 1, doi. 10.1002/wcms.1494
By:
- Seritan, Stefan;
- Bannwarth, Christoph;
- Fales, Bryan S.;
- Hohenstein, Edward G.;
- Isborn, Christine M.;
- Kokkila‐Schumacher, Sara I. L.;
- Li, Xin;
- Liu, Fang;
- Luehr, Nathan;
- Snyder, James W.;
- Song, Chenchen;
- Titov, Alexey V.;
- Ufimtsev, Ivan S.;
- Wang, Lee‐Ping;
- Martínez, Todd J.
Publication type:
Article
Wavefunction methods for noncovalent interactions.
Published in:
WIREs: Computational Molecular Science, 2012, v. 2, n. 2, p. 304, doi. 10.1002/wcms.84
By:
- Hohenstein, Edward G.;
- Sherrill, C. David
Publication type:
Article
Psi4: an open-source ab initio electronic structure program.
Published in:
WIREs: Computational Molecular Science, 2012, v. 2, n. 4, p. 556, doi. 10.1002/wcms.93
By:
- Turney, Justin M.;
- Simmonett, Andrew C.;
- Parrish, Robert M.;
- Hohenstein, Edward G.;
- Evangelista, Francesco A.;
- Fermann, Justin T.;
- Mintz, Benjamin J.;
- Burns, Lori A.;
- Wilke, Jeremiah J.;
- Abrams, Micah L.;
- Russ, Nicholas J.;
- Leininger, Matthew L.;
- Janssen, Curtis L.;
- Seidl, Edward T.;
- Allen, Wesley D.;
- Schaefer, Henry F.;
- King, Rollin A.;
- Valeev, Edward F.;
- Sherrill, C. David;
- Crawford, T. Daniel
Publication type:
Article
Assessment of standard force field models against high-quality ab initio potential curves for prototypes of π–π, CH/π, and SH/π interactions.
Published in:
Journal of Computational Chemistry, 2009, v. 30, n. 14, p. 2187, doi. 10.1002/jcc.21226
By:
- SHERRILL, C. DAVID;
- SUMPTER, BOBBY G.;
- SINNOKROT, MUTASEM O.;
- MARSHALL, MICHAEL S.;
- HOHENSTEIN, EDWARD G.;
- WALKER, ROSS C.;
- GOULD, IAN R.
Publication type:
Article
Competition Between π-π and CH/π Interactions: A Comparison of the Structural and Electronic Properties of Alkoxy-Substituted 1,8-Bis((propyloxyphenyl)ethynyl) naphthalenes.
Published in:
Chemistry - A European Journal, 2015, v. 21, n. 52, p. 19168, doi. 10.1002/chem.201502363
By:
- Carson, Bradley E.;
- Parker, Trent M.;
- Hohenstein, Edward G.;
- Brizius, Glen L.;
- Komorner, Whitney;
- King, Rollin A.;
- Collard, David M.;
- Sherrill, C. David
Publication type:
Article

Found: 7

Reactive desorption electrospray ionization mass spectrometry (DESI-MS) of natural products of a marine alga.

Cover Image, Volume 11, Issue 2.

TeraChem: A graphical processing unit‐accelerated electronic structure package for large‐scale ab initio molecular dynamics.

Wavefunction methods for noncovalent interactions.

Psi4: an open-source ab initio electronic structure program.

Assessment of standard force field models against high-quality ab initio potential curves for prototypes of π–π, CH/π, and SH/π interactions.

Competition Between π-π and CH/π Interactions: A Comparison of the Structural and Electronic Properties of Alkoxy-Substituted 1,8-Bis((propyloxyphenyl)ethynyl) naphthalenes.