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1. orcid.org › 0000/0002/5570-7666CD Sherrill (0000-0002-5570-7666) - ORCID

   orcid.org › 0000/0002/5570-7666

   CD Sherrill via DimensionsWizard CAREER: Theoretical Studies of Bond-Breaking, Diradicals, and Nondynamical Correlation . 2001-05-01 to 2007-04-30 | Grant National Science Foundation (Airlington, US) GRANT_NUMBER: 0094088 GRANT_NUMBER: 0094088 Show more detail ...

2. scholar.google.com › citations‪David Sherrill‬ - ‪Google Scholar‬

   scholar.google.com › citations

   • En caché

   KS Thanthiriwatte, EG Hohenstein, LA Burns, CD Sherrill. Journal of Chemical Theory and Computation 7 (1), 88-96, 2011. 464: 2011: Wavefunction methods for noncovalent interactions. EG Hohenstein, CD Sherrill. Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (2), 304-326, 2012. 460:

3. vergil.chemistry.gatech.edu › cgi-bin › pubsThe Sherrill Group: Publications - gatech.edu

   vergil.chemistry.gatech.edu › cgi-bin › pubs

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   Hace 3 días · Our goal is to apply the principles of quantum mechanics and electronic structure theory to address problems in physical, organic, inorganic, and biological chemistry. High performance computers are used to solve the complex equations describing the system of interest, yielding predictions of structures, bonding, energetics, reactivity, and other physical properties

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5. scholar.google.com › citations‪T. Daniel Crawford‬ - ‪Google Scholar‬

   scholar.google.com › citations

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   TD Crawford, CD Sherrill, EF Valeev, JT Fermann, RA King, ML Leininger, ... Journal of computational chemistry 28 (9), 1610-1616, 2007. 315: 2007: The Current State of Ab Initio Calculations of Optical Rotation and Electronic Circular Dichroism Spectra. TD Crawford, MC Tam, ML Abrams.

6. scholar.google.com › citations‪Edward Valeev‬ - ‪Google Scholar‬

   scholar.google.com › citations

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   EF Valeev, CD Sherrill. The Journal of chemical physics 118 (9), 3921-3927, 2003. 167: 2003: SparseMaps—A systematic infrastructure for reduced scaling electronic structure methods. V. Linear scaling explicitly correlated coupled-cluster method with pair natural orbitals.

7. europepmc.org › article › MEDPotential energy curves for cation-pi interactions: off-axis ...

   europepmc.org › article › MED

   • En caché

   1 de dic. de 2009 · Accurate potential energy surfaces for benzene.M complexes (M = Li+, Na+, K+, and NH4+) are obtained using coupled-cluster theory through perturbative triple excitations, CCSD (T). Our computations show that off-axis cation-pi interactions, where the cation is not directly above the aromatic ring, can be favorable and may influence molecular ...

8. www.semanticscholar.org › paper › Density-functional-approaches-to-noncovalent-aDensity-functional approaches to noncovalent ... - Semantic...

   www.semanticscholar.org › paper › Density-functional-approaches-to-noncovalent-a

   25 de feb. de 2011 · Density-functional approaches to noncovalent interactions: a comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals. | Semantic Scholar. DOI: 10.1063/1.3545971. Corpus ID: 36361974.