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The Journal of Physical Chemistry. A|April 23, 2009
Consistent van der Waals radii for the whole main groupManjeera Mantina, Adam C Chamberlin, Rosendo Valero, et al.
The Journal of Physical Chemistry. A|January 28, 2017
Quantum Chemical Characterization of Single Molecule Magnets Based on UraniumMariano Spivak, Konstantinos D Vogiatzis, Christopher J Cramer, et al.
Journal of Chemical Theory and Computation|April 26, 2021
Localized Active Space Pair-Density Functional TheoryRiddhish Pandharkar, Matthew R Hermes, Christopher J Cramer, et al.
Molecular Pharmaceutics|May 25, 2016
Prediction of (19)F NMR Chemical Shifts in Labeled Proteins: Computational Protocol and Case StudyWilliam C Isley, Andrew K Urick, William C K Pomerantz, et al.
ACS Central Science|February 3, 2018
Computational Design of Functionalized Metal-Organic Framework Nodes for CatalysisVarinia Bernales, Manuel A Ortuño, Donald G Truhlar, et al.
Journal of the American Chemical Society|October 14, 2005
A highly active zinc catalyst for the controlled polymerization of lactideCharlotte K Williams, Laurie E Breyfogle, Sun Kyung Choi, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|May 23, 2003
Copper(I)-phenolate complexes as models of the reduced active site of galactose oxidase: synthesis, characterization, and O2 reactivityBrian A Jazdzewski, Anne M Reynolds, Patrick L Holland, et al.
Angewandte Chemie (International Ed. in English)|May 13, 2014
Oxygen-promoted C-H bond activation at palladiumMargaret L Scheuermann, David W Boyce, Kyle A Grice, et al.
Journal of the American Chemical Society|October 29, 2014
Pyrene-edged Fe(II)4L6 cages adaptively reconfigure during guest bindingTanya K Ronson, Aaron B League, Laura Gagliardi, et al.
The Journal of Organic Chemistry|October 26, 2002
Structures and aggregation states of fluoromethyllithium and chloromethyllithium carbenoids in the gas phase and in ethereal solventLawrence M Pratt, Bala Ramachandran, James D Xidos, et al.
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