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7294 results: 7234 articles and 60 books or book chapters
Last updated: 2026/08/03-
4061
Are Various sigma-Hole Bonds Steered by the Same Mechanisms?
S. J. Grabowski, and W. A. Sokalski
ChemPhysChem 18, 1569 (2017). -
4062
H+ Hydrogen Bonds and Their Lithium and Gold Analogues: MP2 and CASPT2
Calculations
S. J. Grabowski, and F. Ruiperez
ChemPhysChem 18, 2409 (2017). -
4063
Mono- and Di-Alkylation Processes of DNA Bases by Nitrogen Mustard
Mechlorethamine
O. Larranaga, A. de Cozar, and F. P. Cossio
ChemPhysChem 18, 3390 (2017). -
4064
Aromaticity, the Huckel 4n+2 Rule and Magnetic Current
L. Zhao, R. Grande-Aztatzi, C. Foroutan-Nejad, J. M. Ugalde, and G. Frenking
ChemistrySelect 2, 863 (2017). -
4065
Improvements on non-equilibrium and transport Green function techniques:
The next-generation TRANSIESTA
N. Papior, N. Lorente, T. Frederiksen, A. Garcia, and M. Brandbyge
Comput. Phys. Commun. 212, 8 (2017). -
4066
Dative bonding in main group compounds
L. Zhao, M. Hermann, N. Holzmann, and G. Frenking
Coord. Chem. Rev. 344, 163 (2017). -
4067
Lewis Acid Properties of Tetrel Tetrafluorides-The Coincidence of the
sigma-Hole Concept with the QTAIM Approach
S. J. Grabowski
Crystals 7, 43 (2017). -
4068
Capsulate structure effect on SWNTs doping in RbxAg1-xI@SWNT composites
N. S. Falaleev, A. S. Kumskov, V. G. Zhigalina, I. I. Verbitskiy, A. L. Vasiliev, A. A. Makarova, D. V. Vyalikh, N. A. Kiselev, and A. A. Eliseev
Crystengcomm 19, 3063 (2017). -
4069
Carbene stabilized interconnected bis-germylene and its silicon analogue
with small methyl substituents
S. Kundu, P. P. Samuel, A. Luebben, D. M. Andrada, G. Frenking, B. Dittrich, and H. W. Roesky
Dalton Trans. 46, 7947 (2017). -
4070
Normal-to-abnormal rearrangement of an N-heterocyclic carbene with a
silylene transition metal complex
R. S. Ghadwal, D. Rottschaefer, D. M. Andrada, G. Frenking, C. J. Schuermann, and H. -G. Stammler
Dalton Trans. 46, 7791 (2017). -
4071
Pt-dipyridyl tetrazine metal-organic network on the Au(100) surface:
insights from first principles calculations
D. Le, and T. S. Rahman
Faraday Discuss. 204, 83 (2017). -
4072
Linking classical and molecular optomechanics descriptions of SERS
M. K. Schmidt, R. Esteban, F. Benz, J. J. Baumberg, and J. Aizpurua
Faraday Discuss. 205, 31 (2017). -
4073
Experimental and Theoretical Study of a Cadmium Coordination Polymer
Based on Aminonicotinate with Second-Timescale Blue/Green
Photoluminescent Emission
J. M. Seco, A. Rodriguez-Dieguez, D. Padro, J. A. Garcia, J. M. Ugalde, E. S. Sebastian, and J. Cepeda
Inorg. Chem. 56, 3149 (2017). -
4074
Electronic Structure and Magnetic Anisotropy in Lanthanoid Singleton
Magnets with C-3 Symmetry: The Ln(trenovan) Series
E. Lucaccini, J. J. Baldovi, L. Chelazzi, A. -L. Barra, F. Grepioni, J. -P. Costes, and L. Sorace
Inorg. Chem. 56, 4728 (2017). -
4075
Synthesis, characterisation and dynamic behavior of photoactive
bipyridyl ruthenium(II)-nicotinamide complexes
N. A. Smith, P. Zhang, L. Salassa, A. Habtemariam, and P. J. Sadler
Inorg. Chim. Acta 454, 240 (2017). -
4076
Ab initio Modelling of Plasmons in Metal-semiconductor Bilayer
Transition-metal Dichalcogenide Heterostructures
H. Sener Sen, L. Xian, F. H. da Jornada, S. G. Louie, and A. Rubio
Isr. J. Chem. 57, 540 (2017). -
4077
Competing rhombohedral and monoclinic crystal structures in MnPn(2)Ch(4)
compounds: An ab-initio study
S. V. Eremeev, M. M. Otrokov, and E. V. Chulkov
J. Alloy. Compd. 709, 172 (2017). -
4078
Fluorenyl Based Macrocyclic Polyradicaloids
X. Lu, S. Lee, Y. Hong, Hoa Phan , T. Y. Gopalakrishna, T. S. Herng, T. Tanaka, M. Eugenia Sandoval-Salinas, W. Zeng, J. Ding, D. Casanova, A. Osuka, D. Kim, and J. Wu
J. Am. Chem. Soc. 139, 13173 (2017). -
4079
Organosilicon Radicals with Si-H and Si-Me Bonds from Commodity
Precursors
S. Kundu, P. P. Samuel, S. Sinhababu, A. V. Luebben, B. Dittrich, D. M. Andrada, G. Frenking, A. C. Stueckl, B. Schwederski, A. Paretzki, W. Kaim, and H. W. Roesky
J. Am. Chem. Soc. 139, 11028 (2017). -
4080
Donor Acceptor Interaction Determines the Mechanism of Photoinduced
Electron Injection from Graphene Quantum Dots into TiO2:pi-Stacking
Supersedes Covalent Bonding
R. Long, D. Casanova, W. -H. Fang, and O. V. Prezhdo
J. Am. Chem. Soc. 139, 2619 (2017).