100 citations · 105 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2008★ 100 cited
Structure prediction based on ab initio simulated annealing for boron nitride
K. Doll, J. C. Schoen, M. Jansen
Possible crystalline modifications of chemical compounds at low temperatures correspond to local minima of the energy landscape. Determining these minima via simulated annealing is…
cond-mat.mtrl-sci2007★ 5 cited
Electronic structure of the molecule based magnet Cu PM(NO3)2 (H2O)2
K. Doll, A. U. B. Wolter, H. -H. Klauss
We present density functional calculations on the molecule based S=1/2 antiferromagnetic chain compound Cu PM(NO3)2 (H2O)2; PM = pyrimidine. The properties of the ferro- and antife…