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Browsing 2018 by Author "Bijina, P V"

Browsing 2018 by Author "Bijina, P V"

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  • Electrostatics for Probing Lone Pairs and Their Interactions 
    Bijina, P V; Suresh, C H; Gadre, S R (Wiley, 2018-04-05)
    The value of the molecular electrostatic potential minimum (Vmin) and its topographical features (position, as well as the eigenvalues and eigenvectors of the corresponding Hessian matrix) are recently proposed as the ...
  • Hidden Dicarbene Nature of Acetylenes and Captodative Bonding on Carbon 
    Suresh, C H; Bijina, P V (Wiley, 2018-09-07)
    The density functional theory derived molecular electrostatic potential (MESP), 13C NMR chemical shift (δ), bond order, and coordination reactions show that alkynes (RCCR) attain 1,2‐dicarbene nature during CCR angle ...

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