A canonical approach is used to investigate prototypical multi-dimensional intermolecular interaction potentials characteristic of categories in van der Waals, hydrogen-bonded, and halogen-bonded intermolecular potential energy functions. It is demonstrated that well-characterized potentials in Ar-HI, OC-HI, OC-HF, and OC-BrCl, can be canonically transformed to a common dimensionless potential with relative error less than 0.010. The results indicate common intrinsic bonding properties despite other varied characteristics in the systems investigated. The results of these studies are discussed in the context of the previous statement made by J. C. Slater [J. Chem. Phys. 57 (1972) 2389] concerning fundamental bonding properties in the categor...
The wide-ranging applications of the halogen bond (X-bond), notably in self-assembling materials and...
Author Institution: Oak Ridge National LaboratoryA search for consistent intermolecular potential fu...
Contains fulltext : 32795.pdf (publisher's version ) (Open Access)Van der Waals an...
A canonical approach is used to investigate prototypical multi-dimensional intermolecular interactio...
A canonical approach is used to investigate prototypical multi-dimensional intermolecular interactio...
A generalized formulation of explicit transformations is introduced to investigate the concept of a ...
A proof-of-concept for the accurate generation of multidimensional intermolecular interaction potent...
A method is developed that gives a unified perspective on the nature of a wide range of pairwise int...
The review presents the typical bonding intermolecular interactions: hydrogen bonds, halogen bonds a...
The concept of chemical bonding is normally presented and simplified through two models: the covalen...
Force-based canonical approaches have recently given a unified but different viewpoint on the nature...
Author Institution: Dept. of Chemistry, University of RochesterThe recent observation by Sharpe, Zen...
In previous studies, we introduced a generalized formulation for canonical transformations and spect...
Conventional views of intermolecular cohesion, based on the traditional categories of hydrogen bondi...
Intermolecular potential plays a dominant role in determining the properties of gases, liquids and s...
The wide-ranging applications of the halogen bond (X-bond), notably in self-assembling materials and...
Author Institution: Oak Ridge National LaboratoryA search for consistent intermolecular potential fu...
Contains fulltext : 32795.pdf (publisher's version ) (Open Access)Van der Waals an...
A canonical approach is used to investigate prototypical multi-dimensional intermolecular interactio...
A canonical approach is used to investigate prototypical multi-dimensional intermolecular interactio...
A generalized formulation of explicit transformations is introduced to investigate the concept of a ...
A proof-of-concept for the accurate generation of multidimensional intermolecular interaction potent...
A method is developed that gives a unified perspective on the nature of a wide range of pairwise int...
The review presents the typical bonding intermolecular interactions: hydrogen bonds, halogen bonds a...
The concept of chemical bonding is normally presented and simplified through two models: the covalen...
Force-based canonical approaches have recently given a unified but different viewpoint on the nature...
Author Institution: Dept. of Chemistry, University of RochesterThe recent observation by Sharpe, Zen...
In previous studies, we introduced a generalized formulation for canonical transformations and spect...
Conventional views of intermolecular cohesion, based on the traditional categories of hydrogen bondi...
Intermolecular potential plays a dominant role in determining the properties of gases, liquids and s...
The wide-ranging applications of the halogen bond (X-bond), notably in self-assembling materials and...
Author Institution: Oak Ridge National LaboratoryA search for consistent intermolecular potential fu...
Contains fulltext : 32795.pdf (publisher's version ) (Open Access)Van der Waals an...