Halogen bonding: A halogen-centered noncovalent interaction yet to be understood
In addition to the underlying basic concepts and early recognition of halogen bonding, this
paper reviews the conflicting views that consistently appear in the area of noncovalent …
paper reviews the conflicting views that consistently appear in the area of noncovalent …
Engineering polymers via understanding the effect of anchoring groups for highly stable liquid metal nanoparticles
Liquid metal nanoparticles (LMNPs) have recently attracted much attention as soft functional
materials for various biorelated applications. Despite the fact that several reports …
materials for various biorelated applications. Despite the fact that several reports …
The inorganic chemistry of the cobalt corrinoids–an update
HM Marques - Journal of Inorganic Biochemistry, 2023 - Elsevier
The inorganic chemistry of the cobalt corrinoids, derivatives of vitamin B 12, is reviewed, with
particular emphasis on equilibrium constants for, and kinetics of, their axial ligand …
particular emphasis on equilibrium constants for, and kinetics of, their axial ligand …
Tuning the Kinetic Inertness of Bi3+ Complexes: The Impact of Donor Atoms on Diaza-18-Crown-6 Ligands as Chelators for 213Bi Targeted Alpha Therapy
The radionuclide 213Bi can be applied for targeted α therapy (TAT): a type of nuclear
medicine that harnesses α particles to eradicate cancer cells. To use this radionuclide for …
medicine that harnesses α particles to eradicate cancer cells. To use this radionuclide for …
Geometrical and optical benchmarking of copper guanidine–quinoline complexes: Insights from TD‐DFT and many‐body perturbation theory†
A Jesser, M Rohrmüller, WG Schmidt… - Journal of …, 2014 - Wiley Online Library
We report a comprehensive computational benchmarking of the structural and optical
properties of a bis (chelate) copper (I) guanidine–quinoline complex. Using various (TD‐) …
properties of a bis (chelate) copper (I) guanidine–quinoline complex. Using various (TD‐) …
Analysis of the growth mechanism of hierarchical structure Ni0. 8Co0. 1Mn0. 1 (OH) 2 agglomerates as precursors of LiNi0. 8Co0. 1Mn0. 1O2 in the presence of …
Z Wu, Y Zhou, C Hai, J Zeng, Y Sun, X Ren… - Applied Surface …, 2023 - Elsevier
Abstract Hierarchical structure Ni 0.8 Co 0.1 Mn 0.1 (OH) 2 agglomerates were formed by
coprecipitation method in the presence of aqueous ammonia in a continuous stirred tank …
coprecipitation method in the presence of aqueous ammonia in a continuous stirred tank …
Can an entirely negative fluorine in a molecule, viz. perfluorobenzene, interact attractively with the entirely negative site (s) on another molecule (s)? Like liking like!
A Varadwaj, PR Varadwaj, BY Jin - RSC advances, 2016 - pubs.rsc.org
We present in this study the possibility of the formation of attractive intermolecular
interactions between various entirely negative sites localized on a variety of atoms in …
interactions between various entirely negative sites localized on a variety of atoms in …
DFT-B3LYP, NPA-, and QTAIM-Based Study of the Physical Properties of [M(II)(H2O)2(15-crown-5)] (M = Mn, Fe, Co, Ni, Cu, Zn) Complexes
PR Varadwaj, A Varadwaj… - The Journal of Physical …, 2011 - ACS Publications
A density functional theory study of the structure of the title compounds with the divalent
metal ions in their high-spin ground state, obtained using B3LYP/6-311++ G (d, p) in vacuo …
metal ions in their high-spin ground state, obtained using B3LYP/6-311++ G (d, p) in vacuo …
A topological analysis of the bonding in [M2(CO)10] and [M3(μ-H)3(CO)12] complexes (M = Mn, Tc, Re)
JF Van der Maelen, JA Cabeza - Theoretical Chemistry Accounts, 2016 - Springer
Abstract The M–M, M–H, and M–CO bonding interactions existing in the group 7 transition
metal carbonyl complexes [M 2 (CO) 10] and [M 3 (μ-H) 3 (CO) 12](M= Mn, Tc, Re) have …
metal carbonyl complexes [M 2 (CO) 10] and [M 3 (μ-H) 3 (CO) 12](M= Mn, Tc, Re) have …
Conformational analysis of 18-azacrown-6 and its bonding with late first transition series divalent metals: Insight from DFT combined with NPA and QTAIM analyses
PR Varadwaj, A Varadwaj, GH Peslherbe… - The Journal of …, 2011 - ACS Publications
Density functional theory calculations, together with quantum theory of atoms in molecules
(QTAIM) analyses, have been performed to investigate 18-azacrown-6 complexes of the …
(QTAIM) analyses, have been performed to investigate 18-azacrown-6 complexes of the …