Optimized effective potentials yielding Hartree-Fock energies and densities
Staroverov, Viktor N, Scuseria, Gustavo E, Davidson, Ernest R
Published in The Journal of chemical physics (14.04.2006)
Published in The Journal of chemical physics (14.04.2006)
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Journal Article
Is the Hydrogen Bond in Water Dimer and Ice Covalent?
Ghanty, Tapan K, Staroverov, Viktor N, Koren, Patrick R, Davidson, Ernest R
Published in Journal of the American Chemical Society (16.02.2000)
Published in Journal of the American Chemical Society (16.02.2000)
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Journal Article
Diradical Character of the Cope Rearrangement Transition State
Staroverov, Viktor N, Davidson, Ernest R
Published in Journal of the American Chemical Society (12.01.2000)
Published in Journal of the American Chemical Society (12.01.2000)
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Journal Article
Population analyses that utilize projection operators
Clark, Aurora E., Davidson, Ernest R.
Published in International journal of quantum chemistry (2003)
Published in International journal of quantum chemistry (2003)
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Journal Article
Transition Regions in the Cope Rearrangement of 1,5-Hexadiene and Its Cyano Derivatives
Staroverov, Viktor N, Davidson, Ernest R
Published in Journal of the American Chemical Society (02.08.2000)
Published in Journal of the American Chemical Society (02.08.2000)
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Journal Article
Methanolysis and Phenolysis Routes to Fe 6 , Fe 8 , and Fe 10 Complexes and Their Magnetic Properties: A New Type of Fe 8 Ferric Wheel
Cañada-Vilalta, Cristina, O'Brien, Ted A., Pink, Maren, Davidson, Ernest R., Christou, George
Published in Inorganic chemistry (01.12.2003)
Published in Inorganic chemistry (01.12.2003)
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Journal Article
Spin polarization and annihilation for radicals and diradicals
Davidson, Ernest R., Clark, Aurora E.
Published in International journal of quantum chemistry (2005)
Published in International journal of quantum chemistry (2005)
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Journal Article
Polynuclear manganese complexes with the dicarboxylate ligand m-phenylenedipropionate: a hexanuclear mixed-valence (3Mn(III), 3Mn(IV)) complex
Cañada-Vilalta, Cristina, Streib, William E, Huffman, John C, O'Brien, Ted A, Davidson, Ernest R, Christou, George
Published in Inorganic chemistry (12.01.2004)
Published in Inorganic chemistry (12.01.2004)
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Journal Article
Local Spin III: Wave Function Analysis along a Reaction Coordinate, H Atom Abstraction, and Addition Processes of Benzyne
Clark, Aurora E, Davidson, Ernest R
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.07.2002)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.07.2002)
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