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Journal of Chemical Theory and Computation|December 4, 2015
A Semiempirical Quantum Model for Hydrogen-Bonded Nucleic Acid Base PairsTimothy J Giese, Edward C Sherer, Christopher J Cramer, et al.
Chemical Communications (Cambridge, England)|August 5, 2016
Why metal-oxos react with dihydroanthracene and cyclohexadiene at comparable rates, despite having different C-H bond strengths. A computational studyJohannes E M N Klein, Büsra Dereli, Lawrence Que, et al.
Molecular Pharmaceutics|May 13, 2009
Modeling free energies of solvation in olive oilAdam C Chamberlin, David G Levitt, Christopher J Cramer, et al.
Physical Chemistry Chemical Physics : PCCP|May 14, 2011
The solvation, partitioning, hydrogen bonding, and dimerization of nucleotide bases: a multifaceted challenge for quantum chemistryRaphael F Ribeiro, Aleksandr V Marenich, Christopher J Cramer, et al.
Journal of Chemical Theory and Computation|December 1, 2015
Solvent Dependence of (14)N Nuclear Magnetic Resonance Chemical Shielding Constants as a Test of the Accuracy of the Computed Polarization of Solute Electron Densities by the SolventRaphael F Ribeiro, Aleksandr V Marenich, Christopher J Cramer, et al.
Journal of the American Chemical Society|February 23, 2021
Structural Characterization of the [CuOR]2+ CoreV Mahesh Krishnan, Dimitar Y Shopov, Caitlin J Bouchey, et al.
Chemical Reviews|January 20, 2017
Copper-Oxygen Complexes Revisited: Structures, Spectroscopy, and ReactivityCourtney E Elwell, Nicole L Gagnon, Benjamin D Neisen, et al.
The Journal of Physical Chemistry. A|August 18, 2006
Early excited state dynamics of 6-styryl-substituted pyrylium salts exhibiting dual fluorescenceAnatolio Pigliucci, Peter Nikolov, Abdul Rehaman, et al.
The Journal of Physical Chemistry. A|August 2, 2008
VBSM: a solvation model based on valence bond theoryPeifeng Su, Wei Wu, Casey P Kelly, et al.
Journal of the American Chemical Society|October 3, 2023
Understanding Antiferromagnetic and Ligand Field Effects on Spin Crossover in a Triple-Decker Dimeric Cr(II) ComplexArup Sarkar, Matthew R Hermes, Christopher J Cramer, et al.
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