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Results: 1149

SergeiF. Vyboishchikov
Partitioning of atomization energy
Int. J. Quantum Chem., 2007, 108, 708-718
DOI: 10.1002/qua.21545

Ramon Carbó-Dorca
On Einstein–Podolsky–Rosen Paradox
J Math Chem, 2007, 41, 209-215
DOI: 10.1007/s10910-006-9054-4
Keywords: Molecular similarity

Marcel Swart, Tushar Wijst, Célia Fonseca Guerra, F. Matthias Bickelhaupt
π-π stacking tackled with Density Functional Theory
J Mol Model, 2007, 13, 1245-1257
DOI: 10.1007/s00894-007-0239-y

Mònica Iglesias, Emili Besalú, Enriqueta Anticó
Internal Standardization−Atomic Spectrometry and Geographical Pattern Recognition Techniques for the Multielement Analysis and Classification of Catalonian Red Wines
J. Agric. Food Chem., 2007, 55, 219-225
DOI: 10.1021/jf0629585

Lluís Blancafort, Annapaola Migani
Modeling Thymine Photodimerizations in DNA: Mechanism and Correlation Diagrams
J. Am. Chem. Soc., 2007, 129, 14540-14541
DOI: 10.1021/ja074734o

Anna Company, Laura Gómez, Mireia Güell, Xavi Ribas, Josep M. Luis, Lawrence Que,, Miquel Costas
Alkane Hydroxylation by a Nonheme Iron Catalyst that Challenges the Heme Paradigm for Oxygenase Action
J. Am. Chem. Soc., 2007, 129, 15766-15767
DOI: 10.1021/ja077761n

Albert Poater, Xavier Solans-Monfort, Eric Clot, Christophe Copéret, Odile Eisenstein
Understanding d0-Olefin Metathesis Catalysts:  Which Metal, Which Ligands?
J. Am. Chem. Soc., 2007, 129, 8207-8216
DOI: 10.1021/ja070625y

Emili Besalú, Jesus V. de Julián-Ortiz, Lionello Pogliani
Trends and Plot Methods in MLR Studies
J. Chem. Inf. Model., 2007, 47, 751-760
DOI: 10.1021/ci6004959

Pedro Salvador, István Mayer
One- and two-center physical space partitioning of the energy in the density functional theory
J. Chem. Phys., 2007, 126, 234113
DOI: 10.1063/1.2741258

Adrià Gil, Sílvia Simon, Luis Rodríguez-Santiago, Juan Bertrán, Mariona Sodupe
Influence of the Side Chain in the Structure and Fragmentation of Amino Acids Radical Cations
J. Chem. Theory Comput., 2007, 3, 2210-2220
DOI: 10.1021/ct700055p
Keywords: Ab initio theory, Chemical bonding, Computational chemistry, Density Functional Theory

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