Search Results - Bariya, Pankaj K.

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  1. 1
    Assessment of density functionals and paucity of non-covalent interactions in aminoylyne complexes of molybdenum and tungsten [(η(5)-C5H5)(CO)2M≡EN(SiMe3)(R)] (E = Si, Ge, Sn, Pb): a dispersion-corrected DFT study

    Assessment of density functionals and paucity of non-covalent interactions in aminoylyne complexes of molybdenum and tungsten [(η(5)-C5H5)(CO)2M≡EN(SiMe3)(R)] (E = Si, Ge, Sn, Pb):... by Pandey, Krishna K, Patidar, Pankaj, Bariya, Pankaj K, Patidar, Sunil K, Vishwakarma, Ravi

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  2. 2
    Accurate Structure and Bonding Description of the Transition Metal-Disulfur Monoxide Complexes [(PMe3)2M(S2O)] (M = Ni, Pd, Pt): Grimme Dispersion Corrected DFT Study

    Accurate Structure and Bonding Description of the Transition Metal-Disulfur Monoxide Complexes [(PMe3)2M(S2O)] (M = Ni, Pd, Pt): Grimme Dispersion Corrected DFT Study by Pandey, Krishna K., Patidar, Sunil K., Patidar, Pankaj, Vishwakarma, Ravi, Bariya, Pankaj K.

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  3. 3
    The nature of M–B and B–N bonding in iminoboryl complexes of rhodium and iridium cis,mer-[(L)3(Br)2M(BNSiMe3)] (L = PMe3, CO): Dispersion corrected DFT study

    The nature of M–B and B–N bonding in iminoboryl complexes of rhodium and iridium cis,mer-[(L)3(Br)2M(BNSiMe3)] (L = PMe3, CO): Dispersion corrected DFT study by Pandey, Krishna K., Bariya, Pankaj K.

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  4. 4
    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]

    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)... by Pandey, Krishna K., Vishwakarma, Ravi, Bariya, Pankaj K.

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  5. 5
    Accurate theoretical description of the M–PNR2 bonds in phosphinidene complexes of manganese and rhenium [(CO)5M–PNR2]+ (R = Me, iPr, tBu) and [(PMe3)(CO)4M–PNiPr2]+: A DFT-D3 study

    Accurate theoretical description of the M–PNR2 bonds in phosphinidene complexes of manganese and rhenium [(CO)5M–PNR2]+ (R = Me, iPr, tBu) and [(PMe3)(CO)4M–PNiPr2]+: A DFT-D3 stud... by Pandey, Krishna K., Tiwari, Pradeep, Patidar, Pankaj, Patidar, Sunil K., Vishwakarma, Ravi, Bariya, Pankaj K.

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  6. 6
    Assessment of density functionals and paucity of non-covalent interactions in aminoylyne complexes of molybdenum and tungsten [(η5-C5H5)(CO)2M&z.tbd;EN(SiMe3)(R)] (E = Si, Ge, Sn, Pb): a dispersion-corrected DFT studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c3dt53632g

    Assessment of density functionals and paucity of non-covalent interactions in aminoylyne complexes of molybdenum and tungsten [(η5-C5H5)(CO)2M&z.tbd;EN(SiMe3)(R)] (E = Si, Ge, Sn,... by Pandey, Krishna K, Patidar, Pankaj, Bariya, Pankaj K, Patidar, Sunil K, Vishwakarma, Ravi

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  7. 7
    Structure and bonding analysis of intermediate model heme-imidazole and heme-thiolate enzymes complexed with formate, acetate and nitrate: A theoretical study

    Structure and bonding analysis of intermediate model heme-imidazole and heme-thiolate enzymes complexed with formate, acetate and nitrate: A theoretical study by Pandey, Krishna K., Vishwakarma, Ravi, Patidar, Sunil K., Bariya, Pankaj K.

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