Atoms in molecules: Application to electronic structure of van der Waals complexes

1999 ◽  
Vol 111 (2) ◽  
pp. 369-375
Author(s):  
V Subramanian ◽  
D Sivanesan ◽  
J Padmanabhan ◽  
N Lakshminarayanan ◽  
T Ramasami
Keyword(s):  
Electronic Structure ◽  
Van Der Waals ◽  
Atoms In Molecules ◽  
Van Der Waals Complexes

Biaxial strain, electric field and interlayer distance-tailored electronic structure and magnetic properties of two-dimensional g-C3N4/Li-adsorbed Cr2Ge2Te6 van der Waals heterostructures

2021 ◽  
Vol 23 (10) ◽  
pp. 6171-6181
Author(s):  
Yaoqi Gao ◽  
Baozeng Zhou ◽  
Xiaocha Wang
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Electric Field ◽  
Van Der Waals ◽  
Interlayer Distance ◽  
Two Dimensional ◽  
Biaxial Strain ◽  
Van Der Waals Heterostructures

It is found that the biaxial strain, electric field and interlayer distance can effectively modulate the electronic structure and magnetic properties of two-dimensional van der Waals heterostructures.

Structure and electronic structure of van der Waals interfaces at a Au(1 1 1) surface covered with a well-ordered molecular layer of n-alkanes

2021 ◽  
Vol 535 ◽  
pp. 147673
Author(s):  
Hirotaka Mizushima ◽  
Harunobu Koike ◽  
Kenta Kuroda ◽  
Koichiro Yaji ◽  
Ayumi Harasawa ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Molecular Layer ◽  
Van Der Waals

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.

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