scholarly journals Quantum Monte Carlo calculations of van der Waals interactions between aromatic benzene rings

2018 ◽  
Vol 97 (20) ◽  
Author(s):  
Sam Azadi ◽  
T. D. Kühne
Keyword(s):  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Monte Carlo Calculations ◽  
Benzene Rings

Quantum Monte Carlo calculations ofA=9,10nuclei

2002 ◽  
Vol 66 (4) ◽  
Author(s):  
Steven C. Pieper ◽  
K. Varga ◽  
R. B. Wiringa
Keyword(s):  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Monte Carlo Calculations

scholarly journals 3-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

2012 ◽  
Vol 68 (6) ◽  
pp. o1923-o1923
Author(s):  
Ju Liu ◽  
Zhi-Qiang Cai ◽  
Yang Wang ◽  
Yu-Li Sang ◽  
Li-Feng Xu
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Planar Systems

In the title compound, C25H13Cl2F4N3, there are four planar systems, viz. three benzene rings and a pyrazolo[1,5-a]pyrimidine system [r.m.s. deviation = 0.002 Å]. The dihedral angle between the dichlorophenyl ring and the unsubstituted phenyl ring is 69.95 (5)°, while that between the fluorophenyl ring and the unsubstituted phenyl ring is 7.97 (10)°. The crystal packing is dominated by van der Waals interactions. A Cl...Cl interaction of 3.475 (3) Å also occurs.

scholarly journals Quantum Monte Carlo calculations of neutron matter

2003 ◽  
Vol 68 (2) ◽  
Author(s):  
J. Carlson ◽  
J. Morales ◽  
V. R. Pandharipande ◽  
D. G. Ravenhall
Keyword(s):  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Neutron Matter ◽  
Monte Carlo Calculations

scholarly journals Auxiliary-field quantum Monte Carlo calculations of the molybdenum dimer

2016 ◽  
Vol 144 (24) ◽  
pp. 244306 ◽  
Author(s):  
Wirawan Purwanto ◽  
Shiwei Zhang ◽  
Henry Krakauer
Keyword(s):  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Auxiliary Field ◽  
Monte Carlo Calculations
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