Crystallography Open Database
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Result: there are 17 entries in the selection
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Searching journal of publication like 'Journal of Chemical Theory and Computation' volume of publication is 14
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1548809 | CIF | H2 Mn O2 | P -3 m 1 | 3.25; 3.25; 4.48 90; 90; 120 | 40.98 | Zhao, Qing; Kulik, Heather J. Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U Journal of Chemical Theory and Computation, 2018, 14, 670-683 |
| 1548810 | CIF | Co H2 O2 | P -3 m 1 | 3.186; 3.186; 4.653 90; 90; 120 | 40.9 | Zhao, Qing; Kulik, Heather J. Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U Journal of Chemical Theory and Computation, 2018, 14, 670-683 |
| 1548811 | CIF | H2 Ni O2 | P -3 m 1 | 3.1268; 3.1268; 4.606 90; 90; 120 | 38.999 | Zhao, Qing; Kulik, Heather J. Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U Journal of Chemical Theory and Computation, 2018, 14, 670-683 |
| 1548812 | CIF | C6 K3 Mn N6 | P 1 21/c 1 | 7.09; 10.49; 8.46 90; 107.6; 90 | 600 | Zhao, Qing; Kulik, Heather J. Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U Journal of Chemical Theory and Computation, 2018, 14, 670-683 |
| 1548813 | CIF | C2 H2 Co N4 | P n n m | 6.5694; 8.8057; 3.2621 90; 90; 90 | 188.707 | Zhao, Qing; Kulik, Heather J. Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U Journal of Chemical Theory and Computation, 2018, 14, 670-683 |
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