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PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ISSN 1463-9076, 2013, Volume 15, Issue 27, pp. 11178 - 11189
Journal Article
Journal Article
Crystal Growth & Design, ISSN 1528-7483, 06/2014, Volume 14, Issue 6, pp. 2697 - 2702
It is proposed that noncovalent interactions, wherein it is possible to identify an element or moiety working as the electrophile, are named by referring to... 
HOLE | DIVALENT SULFUR | HYDROGEN-BOND | MATERIALS SCIENCE, MULTIDISCIPLINARY | COMPLEXES | CRYSTAL-STRUCTURES | SURFACE ELECTROSTATIC POTENTIALS | CRYSTALLOGRAPHY | DIRECTIONAL PREFERENCES | CHEMISTRY, MULTIDISCIPLINARY | NONBONDED ATOMIC CONTACTS | HALOGEN BONDS | CHALCOGEN BOND
Journal Article
International Journal of Quantum Chemistry, ISSN 0020-7608, 2007, Volume 107, Issue 15, pp. 3046 - 3052
In certain molecular environments, a covalently‐bonded atom from Groups V–VII may have a region of significantly‐positive electrostatic potential on its outer... 
σ‐hole bonding | hydrogen bonding | directional noncovalent interactions | electrostatic potentials | interaction energies | Interaction energies | σ-hole bonding | Directional noncovalent interactions | Hydrogen bonding | Electrostatic potentials
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 10/2018, Volume 122, Issue 39, pp. 9161 - 9177
The SAFT-γ Mie group-contribution equation of state [ Papaioannou J. Chem. Phys. 2014, 140, 054107 ] is used to develop a transferable coarse-grained (CG)... 
DYNAMICS SIMULATIONS | EQUATION-OF-STATE | TRANSPORT-PROPERTIES | THERMODYNAMIC PERTURBATION-THEORY | DIFFUSION-COEFFICIENTS | CHEMISTRY, PHYSICAL | DIRECTIONAL ATTRACTIVE FORCES | PHASE-EQUILIBRIA | VAPOR-LIQUID-EQUILIBRIA | INTERFACIAL PROPERTIES | N-ALKANES
Journal Article
Faraday Discussions, ISSN 1359-6640, 10/2017, Volume 23, pp. 113 - 13
Close contacts, defined as interatomic separations less than the sum of the respective van der Waals radii, are commonly invoked to identify attractive... 
Crystal lattices
Journal Article
Chemical science, ISSN 2041-6520, 04/2019, Volume 10, Issue 13, p. 3826
Burgeoning interest in distal functionalization of aryl C-H bonds led to the development of iridium-catalyzed borylation reactions. The significance and... 
Journal Article
CrystEngComm, ISSN 1466-8033, 2002, Volume 4, Issue 66, pp. 378 - 392
We have recently described a remarkable new way of exploring packing modes and intermolecular interactions in molecular crystals using a novel partitioning of... 
AROMATIC-HYDROCARBONS | NONBONDED ATOMIC CONTACTS | CLOSE PACKING | STRUCTURAL IMPLICATIONS | DIVALENT SULFUR | HYDROGEN-BOND | CRYSTALLOGRAPHY | DIRECTIONAL PREFERENCES | MELTING-POINT | CHEMISTRY, MULTIDISCIPLINARY | SOLID-STATE | N-ALKANES
Journal Article
ACS Nano, ISSN 1936-0851, 11/2015, Volume 9, Issue 11, pp. 10817 - 10825
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 04/2015, Volume 137, Issue 12, pp. 4126 - 4133
Chalcogen bonding is the noncovalent interaction between an electron-deficient, covalently bonded chalcogen (Te, Se, S) and a Lewis base. Although substantial... 
NONBONDED ATOMIC CONTACTS | PNICOGEN BONDS | O INTERACTION | HALOGEN-BOND | CONJUGATED POLYMERS | DIVALENT SULFUR | SIGMA-HOLE | DIRECTIONAL PREFERENCES | SUPRAMOLECULAR CHEMISTRY | CHEMISTRY, MULTIDISCIPLINARY | THEORETICAL INVESTIGATIONS | Nuclear magnetic resonance spectroscopy | Usage | Chemical properties | Heterocyclic compounds | Mass spectrometry
Journal Article
COMPUTATIONAL AND THEORETICAL CHEMISTRY, ISSN 2210-271X, 10/2012, Volume 998, pp. 2 - 8
Journal Article
Behavioural Brain Research, ISSN 0166-4328, 02/2018, Volume 338, pp. 1 - 8
Working memory refers to a system that is essential for performing complex cognitive tasks such as reasoning, comprehension and learning. Evidence shows that... 
Directional interaction | Medial prefrontal cortex (mPFC) | Working memory | Rat | Local field potential (LFP) | Ventral hippocampus (vHPC) | SYNCHRONY | CAUSALITY | FUNCTIONAL CONNECTIVITY | PHASE-LOCKING | TIME | NEUROSCIENCES | CORTEX | THETA-OSCILLATIONS | BEHAVIORAL SCIENCES | PROJECTIONS | CROSS-CORRELATION | Short-term memory | Biomedical engineering
Journal Article
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, ISSN 0020-7608, 12/2007, Volume 107, Issue 15, pp. 3046 - 3052
Journal Article
CRYSTALS, ISSN 2073-4352, 07/2017, Volume 7, Issue 7
Journal Article
Chemical Science, ISSN 2041-6520, 2019, Volume 10, Issue 13, pp. 3826 - 3835
Burgeoning interest in distal functionalization of aryl C-H bonds led to the development of iridium-catalyzed borylation reactions. The significance and... 
IRIDIUM-CATALYZED BORYLATION | DIRECTING GROUP | ACTIVATION | MECHANISM | ARENES | C-H BORYLATION | LIGAND | BASIS-SET | SELECTIVITY | CHEMISTRY, MULTIDISCIPLINARY | SILYLATION
Journal Article
Tetrahedron Letters, ISSN 0040-4039, 04/2018, Volume 59, Issue 14, pp. 1269 - 1277
Noncovalent interactions play a fundamental role in molecular biology, crystal engineering, supramolecular chemistry, drug design, sensing applications, and... 
Remote functionalization | C–H activation | Noncovalent interaction | Borylation | TRACELESS DIRECTING GROUP | ASYMMETRIC CATALYSIS | TRANSITION-METAL CATALYSIS | ACTIVATION | ORTHO-BORYLATION | CHEMISTRY, ORGANIC | ARTIFICIAL CYTOCHROME-P-450 | C-H activation | MOLECULAR RECOGNITION | SUBSTRATE | LIGAND | SELECTIVITY
Journal Article
Faraday Discussions, ISSN 1359-6640, 2017, Volume 203, pp. 113 - 130
Close contacts, defined as interatomic separations less than the sum of the respective van der Waals radii, are commonly invoked to identify attractive... 
NONBONDED ATOMIC CONTACTS | SIGMA-HOLE INTERACTIONS | ADDITION COMPOUND | DIVALENT SULFUR | CHEMISTRY, PHYSICAL | SURFACE ELECTROSTATIC POTENTIALS | DIRECTIONAL PREFERENCES | HALOGEN | INTERMOLECULAR INTERACTIONS | MOLECULES | ACCEPTOR
Journal Article