Noncovalent interactions in metal complex catalysis
KT Mahmudov, AV Gurbanov, FI Guseinov… - Coordination Chemistry …, 2019 - Elsevier
Metal complex catalysis, in which coordination compounds are designed as catalysts for
chemical transformations employing noncovalent interactions, is emerging as a powerful …
chemical transformations employing noncovalent interactions, is emerging as a powerful …
Quantitative investigation into the role of intermolecular interactions in crystalline fluorinated triazoles
A detailed study on the investigation of noncovalent interactions in the role of building
supramolecular networks and quantification of various intermolecular interactions have …
supramolecular networks and quantification of various intermolecular interactions have …
Structural and computational insights into two trimethylenedipyridine co-crystals: Inputs from X-ray diffraction, Hirshfeld surface, PIXEL, QTAIM and NCI plots
Abstract Two trimethylenedipyridine co-crystals,[(TMDP)·(H 2 OBA)](1) and
[(TMDP)·(SUC)](2)[TMDP= 4, 4′-trimethylenedipyridine, H 2 OBA= 4, 4′-oxybis (benzoic …
[(TMDP)·(SUC)](2)[TMDP= 4, 4′-trimethylenedipyridine, H 2 OBA= 4, 4′-oxybis (benzoic …
Coordination versus spodium bonds in dinuclear Zn (ii) and Cd (ii) complexes with a dithiophosphate ligand
P Kumar, A Frontera, SK Pandey - New Journal of Chemistry, 2021 - pubs.rsc.org
The important role of spodium bonding (SpB) in Zn (II) and Cd (II) complexes is highlighted
in this feature article. SpB has been recommended to distinguish coordination bonds (high …
in this feature article. SpB has been recommended to distinguish coordination bonds (high …
Unravelling the Importance of H bonds, σ–hole and π–hole-Directed Intermolecular Interactions in Nature
S Pramanik, D Chopra - Journal of the Indian Institute of Science, 2020 - Springer
The field of intra-and intermolecular interactions has received a major boost in the past one
decade. Significant advances in both instrumentation (for experimental purposes) and …
decade. Significant advances in both instrumentation (for experimental purposes) and …
Assessment of computational methods for calculating accurate non-covalent interaction energies in 1, 2, 3, 5-dithiadiazolyl radicals
S Nikoo, JM Rawson - Crystal Growth & Design, 2021 - ACS Publications
The strength of non-covalent intermolecular interactions between dithiadiazolyl (DTDA)
radicals XCNSSN (X= F, Cl, Br, CN) were benchmarked using a high-level post-Hartree …
radicals XCNSSN (X= F, Cl, Br, CN) were benchmarked using a high-level post-Hartree …
Structural elucidation and various computational studies for quantitative investigation of intermolecular interactions in pyridine-2, 6-dicarboxylic acid and its di-hydrate
Abstract Crystals of pyridine-2, 6-dicarboxylic acid (1) have been structurally characterized
through single-crystal X-ray diffraction analysis and compared with pyridine-2, 6-dicarboxylic …
through single-crystal X-ray diffraction analysis and compared with pyridine-2, 6-dicarboxylic …
Experimental and Theoretical Study of Tetrel Bonding and Noncovalent Interactions in Hemidirected Lead (II) Phosphorodithioates: An Implication on Crystal …
The importance of tetrel bonds (TtBs) in spontaneous self-assembly has been highlighted in
two new lead (II) complexes: ie Pb [S2P {OC6H4 (4-C (CH3) 3)} 2] 2 (1) and Pb [S2P …
two new lead (II) complexes: ie Pb [S2P {OC6H4 (4-C (CH3) 3)} 2] 2 (1) and Pb [S2P …
Pancake-bonding of semiquinone radicals under variable temperature and pressure conditions
NE Bogdanov, V Milašinović, BA Zakharov… - … Section B: Structural …, 2020 - journals.iucr.org
The effects of temperature (100–370 K) and pressure (0–6 GPa) on the non-localized two-
electron multicentric covalent bonds (pancake bonding') in closely bound radical dimers …
electron multicentric covalent bonds (pancake bonding') in closely bound radical dimers …
Toward a less costly but accurate calculation of the CCSD (T)/CBS noncovalent interaction energy
JL Chen, T Sun, YB Wang… - Journal of Computational …, 2020 - Wiley Online Library
The popular method of calculating the noncovalent interaction energies at the coupled‐
cluster single‐, double‐, and perturbative triple‐excitations [CCSD (T)] theory level in the …
cluster single‐, double‐, and perturbative triple‐excitations [CCSD (T)] theory level in the …