Density functional theory calculations indicate that the cage molecule 4 can trap F- in the gas phase (-80.5 kcal/mol) as well as in CH2Cl2 (-14.7 kcal/mol) via strong C-H center dot center dot center dot F- hydrogen bonds and pi center dot center dot center dot F- interaction
An aryl-extended calix[4]pyrrole with four meso‑p-hydroxyphenyl substituents was investigated as a h...
“Naphthocage”, a naphthalene-based organic cage, reveals very strong binding (up to 1010 M–1) to aro...
Competition between hydrogen- (HB) and halogen-bonded (XB) 4-ammoniumpyridine and halogenammonium (N...
Structural aspects of binding of π-rich neutral guests with L and anions with [H6L]6+ are examined t...
Hydrogen bonds in two halides encapsulated by an azamacrocyclic receptor were studied in detail by t...
The nature of chemical bonding in caged cycloalkanes C<sub><i>n</i></sub>X<sub><i>n</i></sub>, C<sub...
Even in the absence of hydrogen bonding functionality, [CpFe(arene)]+ derivatized cyclotriveratrylen...
Various anions were surrounded by n molecules of CF3H, which was used as a prototype CH donor solven...
DoctorWith the development of modeling chemistry at the molecular level, there has been a paradigm s...
Supramolecular self-assembly has allowed the synthesis of beautiful and complex molecular architectu...
Structural aspects of binding of π-rich neutral guests with <b>L</b> and anions with [H<sub>6</sub><...
none5The oxirane-difluorometane molecular complex is stabilized by two bifurcated weak hydrogen bond...
Oxacalixarenes represent a distinctive class of macrocyclic compounds, which are closely related to ...
High-level ab initio calculations have been used to study the interactions between the CH3 group of ...
In this theory study we demonstrate the dominance of non-classical 1,3-diaxial CHax∙∙∙OC hydrogen bo...
An aryl-extended calix[4]pyrrole with four meso‑p-hydroxyphenyl substituents was investigated as a h...
“Naphthocage”, a naphthalene-based organic cage, reveals very strong binding (up to 1010 M–1) to aro...
Competition between hydrogen- (HB) and halogen-bonded (XB) 4-ammoniumpyridine and halogenammonium (N...
Structural aspects of binding of π-rich neutral guests with L and anions with [H6L]6+ are examined t...
Hydrogen bonds in two halides encapsulated by an azamacrocyclic receptor were studied in detail by t...
The nature of chemical bonding in caged cycloalkanes C<sub><i>n</i></sub>X<sub><i>n</i></sub>, C<sub...
Even in the absence of hydrogen bonding functionality, [CpFe(arene)]+ derivatized cyclotriveratrylen...
Various anions were surrounded by n molecules of CF3H, which was used as a prototype CH donor solven...
DoctorWith the development of modeling chemistry at the molecular level, there has been a paradigm s...
Supramolecular self-assembly has allowed the synthesis of beautiful and complex molecular architectu...
Structural aspects of binding of π-rich neutral guests with <b>L</b> and anions with [H<sub>6</sub><...
none5The oxirane-difluorometane molecular complex is stabilized by two bifurcated weak hydrogen bond...
Oxacalixarenes represent a distinctive class of macrocyclic compounds, which are closely related to ...
High-level ab initio calculations have been used to study the interactions between the CH3 group of ...
In this theory study we demonstrate the dominance of non-classical 1,3-diaxial CHax∙∙∙OC hydrogen bo...
An aryl-extended calix[4]pyrrole with four meso‑p-hydroxyphenyl substituents was investigated as a h...
“Naphthocage”, a naphthalene-based organic cage, reveals very strong binding (up to 1010 M–1) to aro...
Competition between hydrogen- (HB) and halogen-bonded (XB) 4-ammoniumpyridine and halogenammonium (N...
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