A model for the geometries of Van der Waals complexes

1985 ◽  
Vol 63 (7) ◽  
pp. 2018-2025 ◽  
Author(s):  
A. D. Buckingham ◽  
P. W. Fowler
Keyword(s):  
Simple Model ◽  
Electrostatic Interaction ◽  
Short Range ◽  
Hard Spheres ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Model Based

Structures of Van der Waals complexes are predicted by a simple model based on electrostatic interaction between the monomers. Point multipoles are assigned to the atoms and embedded in hard spheres to represent short-range repulsions. Structures deduced for some 29 complexes are in agreement with experiment, and numerous predictions are made.

scholarly journals Phenomenological Explanation of Elastic Anomalies in Superlattices

1993 ◽  
Vol 308 ◽  
Author(s):  
M. Grimsditch ◽  
Eric E. Fullerton ◽  
Ivan K. Schuller
Keyword(s):  
Simple Model ◽  
Structural Properties ◽  
Hard Spheres ◽  
Experimental Fact ◽  
Strongly Correlated ◽  
Model Based ◽  
Elastic Anomalies

ABSTRACTThe experimental fact that measured elastic and structural properties of superlattices are strongly correlated can be understood on the basis of a simple model based on the packing of hard spheres. The model is consistent with features of many models that have been proposed to explain the supermodulus effect, but contrary to previous explanations, it allows predictions for a given pair of constituents to be made. For an arbitrary pair of elements, it predicts the existence or non-existence of an elastic anomaly, and a rough estimate of its magnitude.

scholarly journals How accurate is the determination of equilibrium structures for van der Waals complexes? The dimer N2O⋯CO as an example

2021 ◽  
Vol 154 (19) ◽  
pp. 194302
Author(s):  
Jean Demaison ◽  
Natalja Vogt ◽  
Yan Jin ◽  
Rizalina Tama Saragi ◽  
Marcos Juanes ◽  
...  
Keyword(s):  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Equilibrium Structures

scholarly journals Consecutive Vibrational Redistribution and Predissociation Processes in s-Tetrazine–Argon Van Der Waals Complexes

1983 ◽  
Vol 2 (3-4) ◽  
pp. 125-135 ◽  
Author(s):  
J. J. F. Ramaekers ◽  
L. B. Krijnen ◽  
H. J. Lips ◽  
J. Langelaar ◽  
R. P. H. Rettschnick
Keyword(s):  
Decay Time ◽  
Van Der Waals ◽  
Stagnation Pressure ◽  
Van Der Waals Complexes ◽  
Supersonic Expansion ◽  
Vibrational Predissociation ◽  
Out Of Plane ◽  
Spectrally Resolved ◽  
Plane Mode

s-Tetrazine argon complexes T−Arn (n = 1, 2) are formed in a supersonic expansion of argon seeded with s-tetrazine. The expansion was conducted through a nozzle of 50 or 100 μm with an argon stagnation pressure between 1 and 1.5 bar. From spectrally resolved measurements it is clear that vibrational redistribution processes as well as vibrational predissociation processes take place after SVL excitation within the complex.From rise and decay time experiments it can be concluded, that after excitation of the 6a1 complex level, the above mentioned processes are consecutive and not parallel. It appears that the out of plane mode 16a couples with the Van der Waals stretching mode. The predissociation rate of the 16a2 complex is observed to be 2.3 × 109 s−1.

scholarly journals Glasses in hard spheres with short-range attraction

2004 ◽  
Vol 69 (1) ◽  
Author(s):  
K. N. Pham ◽  
S. U. Egelhaaf ◽  
P. N. Pusey ◽  
W. C. K. Poon
Keyword(s):  
Short Range ◽  
Hard Spheres

Van der Waals Complexes of Cu, Ag, and Au with Hydrogen Sulfide. The Bonding Character

2007 ◽  
Vol 111 (50) ◽  
pp. 13238-13244 ◽  
Author(s):  
Jaroslav Granatier ◽  
Miroslav Urban ◽  
Andrzej J. Sadlej
Keyword(s):  
Hydrogen Sulfide ◽  
Van Der Waals ◽  
Van Der Waals Complexes
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