the effects of substituents on the symmetry and the nature of halogen bonds in [n∙∙∙x∙∙∙n]+-type systems are presented for the yc5h4n∙∙∙x∙∙∙nc5h5 (y = no2, cn, h, ch3, och3, oh, nh2, x = cl, br, i) complexes. some structural parameters, energy data and electronic properties were explored with the density functional theory (dft) calculations. in addition, electrostatic potentials were used in es...

mp2 calculations with cc-pvtz basis set were used to analyze intermolecular interactions in f3cx···yli···nccn and f3cx···nccn···liy triads (x = cl, br; y = cn, nc) which are connected via halogen and lithium bonds. those complexes with the role of liy as halogen acceptor and lithium donor show cooperativity with energy values ranging between -1.97 and -2.92 kj mol-1. those complexes with simult...

Unsurprisingly, education research shows that students engage better when an instructional storyline begins with a surprising claim about topic important in their own lives. Today, everyone understands the importance of immune response to lives, and most find it paradoxical be told some bonds strengthen under applied pulling force. So recent discovery catch-bond behavior T-cell activation is ve...