scholarly journals Conformational analysis, energy profile, and structural-electronic properties evaluation of mephedrone derivatives employing quantum-mechanical models

2016 ◽  
Vol 28 (3) ◽  
pp. 791-799 ◽  
Author(s):  
Wojciech Kolodziejczyk ◽  
Supratik Kar ◽  
Glake A. Hill
Keyword(s):  
Conformational Analysis ◽  
Electronic Properties ◽  
Quantum Mechanical ◽  
Energy Profile ◽  
Mechanical Models

scholarly journals Conformational analysis of flephedrone using quantum mechanical models

2012 ◽  
Vol 19 (3) ◽  
pp. 1451-1458 ◽  
Author(s):  
Wojciech Kolodziejczyk ◽  
Jerzy Jodkowski ◽  
Tiffani M. Holmes ◽  
Glake A. Hill
Keyword(s):  
Conformational Analysis ◽  
Quantum Mechanical ◽  
Mechanical Models

STRUCTURE, STABILITY, AND ELECTRONIC PROPERTIES OF LARGE FULLERENES

1993 ◽  
Vol 07 (26) ◽  
pp. 4305-4329 ◽  
Author(s):  
C.Z. WANG ◽  
B.L. ZHANG ◽  
K.M. HO ◽  
X.Q. WANG
Keyword(s):  
Total Energy ◽  
Electronic Properties ◽  
Ground State ◽  
Relative Stability ◽  
Chemical Reactivity ◽  
Structure Stability ◽  
Quantum Mechanical ◽  
Efficient Scheme ◽  
Ground State Structures ◽  
Fullerene Clusters

The recent development in understanding the structures, relative stability, and electronic properties of large fullerenes is reviewed. We describe an efficient scheme to generate the ground-state networks for fullerene clusters. Combining this scheme with quantum-mechanical total-energy calculations, the ground-state structures of fullerenes ranging from C 20 to C 100 have been studied. Fullerenes of sizes 60, 70, and 84 are found to be energetically more stable than their neighbors. In addition to the energies, the fragmentation stability and the chemical reactivity of the clusters are shown to be important in determining the abundance of fullerene isomers.

scholarly journals Spectral stochastic processes arising in quantum mechanical models with a non-L 2 ground state

1995 ◽  
Vol 35 (3) ◽  
pp. 251-262 ◽  
Author(s):  
J. L�ffelholz ◽  
G. Morchio ◽  
F. Strocchi
Keyword(s):  
Stochastic Processes ◽  
Ground State ◽  
Quantum Mechanical ◽  
Mechanical Models

Quantum-mechanical studies on the conformational and electronic properties of steroids

1970 ◽  
Vol 17 (5) ◽  
pp. 377-383 ◽  
Author(s):  
Jacqueline Caillet ◽  
Bernard Pullman
Keyword(s):  
Electronic Properties ◽  
Quantum Mechanical ◽  
Mechanical Studies

Classical and Quantum Mechanical Models of Many-Particle Systems

2013 ◽  
Vol 10 (4) ◽  
pp. 3305-3378
Author(s):  
Anton Arnold ◽  
Eric Carlen ◽  
Laurent Desvillettes
Keyword(s):  
Particle Systems ◽  
Quantum Mechanical ◽  
Mechanical Models

Classical and Quantum Mechanical Models of Many-Particle Systems

2010 ◽  
pp. 3159-3236
Author(s):  
Anton Arnold ◽  
Eric Carlen ◽  
Laurent Desvillettes
Keyword(s):  
Particle Systems ◽  
Quantum Mechanical ◽  
Mechanical Models
Sign in / Sign up

Export Citation Format

Share Document