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7416 results: 7356 articles and 60 books or book chapters
Last updated: 2026/11/05-
4741
Is it possible to achieve a complete desaturation of cycloalkanes
promoted by o-benzyne?
F. Cervantes-Navarro, A. de Cozar, F. P. Cossio, M. A. Fernandez-Herrera, G. Merino, and I. Fernandez
Chem. Commun. 51, 5302 (2015). -
4742
Synthesis of radiolabelled aryl azides from diazonium salts:
experimental and computational results permit the identification of the
preferred mechanism
S. M. Joshi, A. de Cozar, V. Gomez-Vallejo, J. Koziorowski, J. Llop, and F. P. Cossio
Chem. Commun. 51, 8954 (2015). -
4743
Tuning the Tensile Strength of Cellulose through Vapor-Phase Metalation
K. E. Gregorczyk, D. F. Pickup, M. Garcia Sanz, I. Azpitarte Irakulis, C. Rogero, and M. Knez
Chem. Mat. 27, 181 (2015). -
4744
Ab Initio Molecular Dynamics Simulations of Methylammonium Lead Iodide
Perovskite Degradation by Water
E. Mosconi, J. M. Azpiroz, and F. De Angelis
Chem. Mat. 27, 4885 (2015). -
4745
The diatomic dication SiC2+ in the gas phase
R. Pis Diez, and J. A. Alonso
Chem. Phys. 455, 41 (2015). -
4746
Raman scattering signatures of the unusual vibronic interaction of
molecules in liquid helium-3
I. Tehver, G. Benedek, and V. Hizhnyakov
Chem. Phys. 460, 111 (2015). -
4747
Quantum Chemical Calculations and Experimental Investigations of
Molecular Actinide Oxides
A. Kovacs, R. J. M. Konings, J. K. Gibson, I. Infante, and L. Gagliardi
Chem. Rev. 115, 1725 (2015). -
4748
Design of two-photon molecular tandem architectures for solar cells by
ab initio theory
K. B. Ornso, J. M. Garcia-Lastra, G. De La Torre, F. J. Himpsel, A. Rubio, and K. S. Thygesen
Chem. Sci. 6, 3018 (2015). -
4749
The boron-boron triple bond in NHC -> B equivalent to B <- NHC
N. Holzmann, M. Hermann, and G. Frenking
Chem. Sci. 6, 4089 (2015). -
4750
Recent developments and future prospects of all-metal aromatic compounds
J. M. Mercero, A. I. Boldyrev, G. Merino, and J. M. Ugalde
Chem. Soc. Rev. 44, 6519 (2015). -
4751
Reaction Mechanism of the Symmetry-Forbidden [2+2] Addition of
Ethylene and Acetylene to Amido-Substituted Digermynes and Distannynes
Ph2N-EE-NPh2, (E=Ge, Sn): A Theoretical Study
L. Zhao, C. Jones, and G. Frenking
Chem.-Eur. J. 21, 12405 (2015). -
4752
The Electronic Structure of the Al-3(-) Anion: Is it Aromatic?
J. M. Mercero, E. Matito, F. Ruiperez, I. Infante, X. Lopez, and J. M. Ugalde
Chem.-Eur. J. 21, 9610 (2015). -
4753
Microwave-Assisted Organocatalyzed Rearrangement of Propargyl Vinyl
Ethers to Salicylaldehyde Derivatives: An Experimental and Theoretical
Study
D. Tejedor, L. Cotos, D. Marquez-Arce, M. Odriozola-Gimeno, M. Torrent-Sucarrat, F. P. Cossio, and F. Garcia-Tellado
Chem.-Eur. J. 21, 18280 (2015). -
4754
Chemical Bonding of Transition-Metal Co-13 Clusters with Graphene
T. Alonso-Lanza, A. Ayuela, and F. Aguilera-Granja
ChemPhysChem 16, 3700 (2015). -
4755
pi-Hole Bonds: Boron and Aluminum Lewis Acid Centers
S. J. Grabowski
ChemPhysChem 16, 1470 (2015). -
4756
Lewis acid-Lewis base interactions: From NFH3+center dot center dot
center dot NCH and NF4+center dot center dot center dot NCH complexes to
NFH3+center dot center dot center dot(NCH)(n) and NF4+center dot center
dot center dot(NCH)(n) clusters
S. J. Grabowski
Comput. Theor. Chem. 1053, 289 (2015). -
4757
Assessment of Density-Functional Tight-Binding Ionization Potentials and
Electron Affinities of Molecules of Interest for Organic Solar Cells
Against First-Principles GW Calculations
A. A. M. H. M. Darghouth, M. E. Casida, W. Taouali, K. Alimi, M. P. Ljungberg, P. Koval, D. Sanchez-Portal, and D. Foerster
Computation 3, 616 (2015). -
4758
Design and performance characterization of electronic structure
calculations on massively parallel supercomputers: a case study of GPAW
on the Blue Gene/P architecture
N. A. Romero, C. Glinsvad, A. H. Larsen, J. Enkovaara, S. Shende, V. A. Morozov, and J. J. Mortensen
Concurr. Comput.-Pract. Exp. 27, 69 (2015). -
4759
Molecular simulation of oligo-glutamates in a calcium-rich aqueous
solution: insights into peptide-induced polymorph selection
J. Kahlen, C. Peter, and D. Donadio
Crystengcomm 17, 6863 (2015). -
4760
Redox-active and DNA-binding coordination complexes of clotrimazole
S. Betanzos-Lara, N. P. Chmel, M. T. Zimmerman, L. R. Barron-Sosa, C. Garino, L. Salassa, A. Rodger, J. L. Brumaghim, I. Gracia-Mora, and N. Barba-Behrens
Dalton Trans. 44, 3673 (2015).