The nature of M-PNR2 bonds in the electrophilic phosphinidene complexes [(L)(CO)3M{PNR2}]+ (L = PMe3, PPh3; M = Co, Rh, Ir; R = Me, iPr): Structure, bonding and 31P NMR study
Authors: Krishna K. Pandey; Ravi Vishwakarma; Sunil K. Patidar
Theoretical insights into M-SO bonds in transition metal-sulfur monoxide complexes [{N(SPMe2)2}2M(SO)] (M = Fe, Ru, Os): Assessment of density functionals and dispersion interactions
Authors: Krishna K. Pandey; Sunil K. Patidar; Ravi Vishwakarma
Quantum chemical insight into C-H⋯F bonding interactions between noncovalently bonded ion-pairs in N-heterocyclic carbene complexes of gold(I) [(NHC∗)2Au]+[PF6]-and gold(III) [(NHC∗)2AuCl2]+[PF6]-
Authors: Krishna K. Pandey; Ravi Vishwakarma; Pankaj K. Bariya
Structure and bonding analysis of intermediate model heme-imidazole and heme-thiolate enzymes complexed with formate, acetate and nitrate: A theoretical study
Assessment of density functionals and paucity of non-covalent interactions in aminoylyne complexes of molybdenum and tungsten [(η5-C 5H5)(CO)2MEN(SiMe3)(R)] (E = Si, Ge, Sn, Pb): A dispersion-corrected DFT study
Authors: Krishna K. Pandey; Pankaj Patidar; Pankaj K. Bariya; Sunil K. Patidar; Ravi Vishwakarma
Accurate theoretical description of the M-PNR2 bonds in phosphinidene complexes of manganese and rhenium [(CO)5M-PNR 2]+ (R = Me, iPr, tBu) and [(PMe3)(CO)4M-PNiPr2]+: A DFT-D3 study