검색결과 : 14건
| No. | Article |
|---|---|
| 1 |
Barium Sulfide under Pressure: Discovery of Metastable Polymorphs and Investigation of Electronic Properties on ab Initio Level Zagorac D, Doll K, Zagorac J, Jordanov D, Matovic B Inorganic Chemistry, 56(17), 10644, 2017 |
| 2 |
Ab initio molecular dynamics study of lithium diffusion in tetragonal Li7La3Zr2O12 Andriyevsky B, Doll K, Jacob T Materials Chemistry and Physics, 185, 210, 2017 |
| 3 |
Study of Fungal Colonization of Wheat Kernels in Syria with a Focus on Fusarium Species Alkadri D, Nipoti P, Doll K, Karlovsky P, Prodi A, Pisi A International Journal of Molecular Sciences, 14(3), 5938, 2013 |
| 4 |
AN ANALYSIS OF C&EN ARTICLES Doll K Chemical & Engineering News, 90(51), 4, 2012 |
| 5 |
On the gradient for metallic systems with a local basis set Doll K Chemical Physics Letters, 535, 187, 2012 |
| 6 |
Extrapolating wavefunction-based ab initio results from finite clusters to the bulk solid - The case of group 1 and 11 metals (Li, Cu) Stoll H, Doll K Chemical Physics Letters, 501(4-6), 283, 2011 |
| 7 |
Global Exploration of the Enthalpy Landscape of Calcium Carbide Kulkarni A, Doll K, Schon JC, Jansen M Journal of Physical Chemistry B, 114(47), 15573, 2010 |
| 8 |
Ab initio investigation of structure and cohesive energy of crystalline urea Civalleri B, Doll K, Zicovich-Wilson CM Journal of Physical Chemistry B, 111(1), 26, 2007 |
| 9 |
Proton ordered cubic and hexagonal periodic models of ordinary ice Casassa S, Calatayud M, Doll K, Minot C, Pisani C Chemical Physics Letters, 409(1-3), 110, 2005 |
| 10 |
The structural, electronic and vibrational properties of LiOH and NaOH: an ab initio study Merawa M, Labeguerie P, Ugliengo P, Doll K, Dovesi R Chemical Physics Letters, 387(4-6), 453, 2004 |