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Results: 1627

Ouissam El Bakouri, Miquel Solà, Jordi Poater
Planar vs. three-dimensional X6 2− , X2 Y4 2− , and X3 Y3 2− (X, Y = B, Al, Ga) metal clusters: an analysis of their relative energies through the tu
Phys. Chem. Chem. Phys., 2016, 18, 21102-21110
DOI: 10.1039/c6cp01109h

Robert Zaleśny, Marc Garcia-Borràs, Robert W. Góra, Miroslav Medveď, Josep M. Luis
On the physical origins of interaction-induced vibrational (hyper)polarizabilities
Phys. Chem. Chem. Phys. , 2016, 18, 22467-22477
DOI: 10.1039/C6CP02500E

Eloy Ramos-Cordoba, Pedro Salvador, Eduard Matito
Separation of dynamic and nondynamic correlation
Phys. Chem. Chem. Phys., 2016, 18, 24015-24023
DOI: 10.1039/C6CP03072F
Keywords: Ab initio theory, Chemical bonding, Electron delocalization, Method development

Huijing Li, Annapaola Migani, Lluís Blancafort, Quansong Li, Zesheng Li
Early events in the photochemistry of 5-diazo Meldrum’s acid: formation of a product manifold in C–N bound and pre-dissociated intersection seam regions
Phys. Chem. Chem. Phys., 2016, 18, 30785-30793
DOI: 10.1039/c6cp06290c

Daniel Cassú, Ouissam El Bakouri, Miquel Solà, Anna Pla-Quintana, Anna Roglans
New synthetic route to N-arylated pyridazinones from aryldiazonium salts
Revista de la Societat Catalana de Química, 2016, 15, 92-99
DOI: 10.2436/20.2003.01.80

Lei Liu, Diego Moreno, Edison Osorio, Abril C. Castro, Sudip Pan, Pratim K. Chattaraj, Thomas Heine, Gabriel Merino
Structure and bonding of IrB12 – : converting a rigid boron B12 platelet to a Wankel motor
RSC Adv., 2016, 6, 27177-27182
DOI: 10.1039/C6RA02992B

Lin Ma, Peng Hu, Hui Jiang, Christian Kloc, Handong Sun, Cesare Soci, Alexander A. Voityuk, Maria E. Michel-Beyerle, Gagik G. Gurzadyan
Single photon triggered dianion formation in TCNQ and F4TCNQ crystals
Sci. Rep., 2016, 6, 28510
DOI: 10.1038/srep28510

Francesc Turias, Jordi Poater, Remi Chauvin, Albert Poater
How carbo-benzenes fit molecules in their inner core as do biologic ion carriers?
Struct Chem, 2016, 27, 249-259
DOI: 10.1007/s11224-015-0672-y

Francesc Turias, Miquel Solà, Laura Falivene, Luigi Cavallo, Albert Poater
Nitrite to nitric oxide interconversion by heme FeII complex assisted by [CuI(tmpa)]+
Struct Chem, 2016, 27, 409-417
DOI: 10.1007/s11224-015-0670-0

Kévin Cocq, Nathalie Saffon-Merceron, Albert Poater, Valérie Maraval, Remi Chauvin
Aromatic Rings and Aromatic Rods: Nonplanar Character of an Indeno-dehydro[14]annulene
Synlett, 2016, 27, 2105-2112
DOI: 10.1055/s-0035-1562720

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