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ChemPhysChem, ISSN 1439-4235, 10/2017, Volume 18, Issue 19, pp. 2675 - 2687
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 04/2015, Volume 119, Issue 16, pp. 3746 - 3752
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 09/2018, Volume 122, Issue 38, pp. 7748 - 7756
We discuss two main approaches to decompose the Moller-Plesset perturbation theory molecular energies into atomic contributions within the interacting quantum... 
2-ELECTRON INTEGRATIONS | SCHEME | HALOGEN BONDS | APPROXIMATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ORBITALS | PARTITION | DENSITY-FUNCTIONAL THEORY | ELECTRON CORRELATION ENERGIES | COUPLED-CLUSTER | HARTREE-FOCK | Chemical Sciences
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 11/2014, Volume 53, Issue 45, pp. 12064 - 12068
Journal Article
RSC Advances, ISSN 2046-2069, 2018, Volume 8, Issue 26, pp. 14705 - 14712
The coinage atom-inserted cyanide/isocyanide compounds, XMCN and XMNC (X = halogens) formed by the insertion of a coinage atom into the X-C(N) bonds of XCN (or... 
INFRARED-SPECTRA | COMPLEXES | BASIS-SETS | METAL | BOND | CHEMISTRY, MULTIDISCIPLINARY | ELECTRON-DENSITY | FULL TOPOLOGY | Chemical bonds | Cyanides | Bond energy | Ionization | Halogens
Journal Article
International Journal of Quantum Chemistry, ISSN 0020-7608, 11/2015, Volume 115, Issue 22, pp. 1580 - 1586
Journal Article
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 06/2018, Volume 24, Issue 32, pp. 8167 - 8177
The additional substituents arising from hypervalency present a number of complicating issues for the formation of noncovalent bonds. The XF 5 molecule (X=Cl,... 
lone pairs | sigma hole | NBO | AIM | hypervalency | AB-INITIO | MOLECULAR CHLORINE | SET SUPERPOSITION ERROR | SIGMA-HOLE BOND | CHEMISTRY, MULTIDISCIPLINARY | HYDROGEN-BONDS | C-X | NONCOVALENT BONDS | CHARGE-TRANSFER COMPLEXES | PI INTERACTIONS | Lewis acid | Ammonia | Deformation | Energy | Bonding strength | Atomic properties | Chemical bonds | Antimony | Staphylococcal enterotoxin H | Bonding | Tellurium | Molecular chains
Journal Article
Chemistry – An Asian Journal, ISSN 1861-4728, 08/2018, Volume 13, Issue 16, pp. 2023 - 2026
Nanometer‐wide graphene nanoribbons can be synthesized from halogen aromatics through multistep on‐surface reactions, but the catalytic role of extrinsic... 
nickel | catalysis | surface chemistry | C−C coupling | scanning tunneling microscopy | C-C coupling | GROWTH | ARMCHAIR | CHEMISTRY, MULTIDISCIPLINARY | Nuclear reactors | Catalysis | Graphene | Graphite | Chemical synthesis | Surface reactions
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 02/2015, Volume 1053, pp. 254 - 262
In this paper, intramolecular halogen–halogen interactions in perhalogenated ethanes CX –CX′ (X, X′ = F, Cl, Br) were investigated using Bader’s theory of... 
Halogen bonds | Bond critical points | Interacting quantum atoms (IQA) | Quantum theory of atoms in molecules (QTAIM) | ENERGY | HYDROGEN-BOND | CHEMISTRY, PHYSICAL | TOPOLOGICAL THEORY | CRYSTAL-STRUCTURES | NONCOVALENT INTERACTIONS | MOLECULES | COVALENT BOND ORDERS | ADAPTED PERTURBATION-THEORY | LITHIUM | QTAIM
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 06/2016, Volume 138, Issue 23, pp. 7216 - 7219
Polymerization of acidic monomers is one of the biggest challenges for atom transfer radical polymerization (ATRP). An intramolecular cyclization reaction-... 
MECHANISM | RDRP | SET-LRP | COMPLEXES | LIGHT | ACRYLIC-ACID | COPOLYMERS | CU-0 | CHEMISTRY, MULTIDISCIPLINARY | ATRP | Polymerization | Research | Ring formation (Chemistry)
Journal Article
CHEMISTRY-A EUROPEAN JOURNAL, ISSN 0947-6539, 10/2013, Volume 19, Issue 43, pp. 14600 - 14611
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 11/2017, Volume 23, Issue 61, pp. 15355 - 15369
Engaging the nominally terminal oxo atoms of the linear uranyl (UO 2 2+ ) cation in non‐covalent interactions represents both a significant challenge and... 
raman spectroscopy | uranium | electrostatic potentials | halogen bonding | oxo atoms | ACID COORDINATION | COMPLEXES | ION | SUPRAMOLECULAR CHEMISTRY | CHEMISTRY, MULTIDISCIPLINARY | HYDROGEN-BONDS | FUNCTIONALIZATION | PSEUDOPOTENTIALS | ELEMENTS | BASIS-SETS | SPECTRA | Raman spectroscopy | Infrared spectroscopy | Acids | Polarizability | X-ray diffraction | Chemical bonds | Chelation | Ligands | Materials selection | Bonding
Journal Article