the use of appropriate level of theories for studying weak van der waal interactions such as 8-8stacking interactions of aromatic molecules has been an important aspect, since the high levelmethods have limitations for application to large molecules. the differences in the stacking energiesof various aromatic molecular structures are found significant. it is also very important for identifyingt...

The use of appropriate level of theories for studying weak van der Waal interactions such as 8-8stacking interactions of aromatic molecules has been an important aspect, since the high levelmethods have limitations for application to large molecules. The differences in the stacking energiesof various aromatic molecular structures are found significant. It is also very important for identifyingt...

a new proton transfer compound, formulated as (hamp-6-pic)(hpyzd) ∙h2o (1), has been synthesized from the reaction of pyrazine-2,3-dicarboxylic acid (h2pyzd)  and 2-amino-6-methyl pyridine (amp-6-pic), in 1:1 molar ratio. extensive o−h×××o, n−h×××n and o−h×××o hydrogen bonds involving (hamp-6-pic)+ cation, (hpyzd)- anion and co-crystal water molecule٫ static electronic٫ and π…π stacking interac...

A new proton transfer compound, formulated as (Hamp-6-pic)(Hpyzd) ∙H2O (1), has been synthesized from the reaction of pyrazine-2,3-dicarboxylic acid (H2pyzd)  and 2-amino-6-methyl pyridine (amp-6-pic), in 1:1 molar ratio. Extensive O−H×××O, N−H×××N and O−H×××O hydrogen bonds involving (Hamp-6-pic)+ cation, (Hpyzd)- anion and co-crystal water molecule٫ static electronic٫ and π…π stacking interac...

The use of appropriate level of theories for studying weak interactions such as 8-8 stackinginteractions of aromatic molecules has been an important aspect, since the high level methods havelimitations for application to large molecules. The differences in the stacking energies of variousaromatic molecular structures are found significant. It is also very important for identifying the mostfavor...