Engagement of CF3 Group in N–H··· F–C Hydrogen Bond in the Solution State: NMR Spectroscopy and MD Simulation Studies

SR Chaudhari, S Mogurampelly…

Index: Martinez-Martinez, Francisco Javier; Ariza-Castolo, Armando; Tlahuext, Hugo; Tlahuextl, Margarita; Contreras, Rosalinda Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1993 , # 8 p. 1481 - 1485

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Citation Number: 15

Abstract

... The Journal of Physical ... 1) the design of functional materials,(2) and also in numerous applications, such as drug design, agro chemicals, molecular imaging ... To obtain such quantitative information, we have carried out both quantum chemical calculations and MD simulations. ...