1. A porous, electrically conductive hexa-zirconium(iv) metal–organic framework. Issue 19 (19th April 2018) Authors: Goswami, Subhadip; Ray, Debmalya; Otake, Ken-ichi; Kung, Chung-Wei; Garibay, Sergio J.; Islamoglu, Timur; Atilgan, Ahmet; Cui, Yuexing; Cramer, Christopher J.; Farha, Omar K.; Hupp, Joseph T. Journal: Chemical science Issue: Volume 9:Issue 19(2018) Page Start: 4477 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A Self‐Improved Water‐Oxidation Catalyst: Is One Site Really Enough?1. (20th November 2013) Authors: López, Isidoro; Ertem, Mehmed Z.; Maji, Somnath; Benet‐Buchholz, Jordi; Keidel, Anke; Kuhlmann, Uwe; Hildebrandt, Peter; Cramer, Christopher J.; Batista, Victor S.; Llobet, Antoni Journal: Angewandte Chemie Issue: Volume 126:Number 1(2014) Page Start: 209 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. A Self‐Improved Water‐Oxidation Catalyst: Is One Site Really Enough?1. Issue 1 (20th November 2013) Authors: López, Isidoro; Ertem, Mehmed Z.; Maji, Somnath; Benet‐Buchholz, Jordi; Keidel, Anke; Kuhlmann, Uwe; Hildebrandt, Peter; Cramer, Christopher J.; Batista, Victor S.; Llobet, Antoni Journal: Angewandte Chemie international edition Issue: Volume 53:Issue 1(2014) Page Start: 205 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Accurate Ionization Energies for Mononuclear Copper Complexes Remain a Challenge for Density Functional Theory. Issue 8 (23rd February 2018) Authors: Dereli, Büsra; Ortuño, Manuel A.; Cramer, Christopher J. Journal: Chemphyschem Issue: Volume 19:Issue 8(2018) Page Start: 959 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Assessment of electronic structure methods for the determination of the ground spin states of Fe(ii), Fe(iii) and Fe(iv) complexes. Issue 20 (9th May 2017) Authors: Verma, Pragya; Varga, Zoltan; Klein, Johannes E. M. N.; Cramer, Christopher J.; Que, Lawrence; Truhlar, Donald G. Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 20(2017) Page Start: 13049 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Carbon Dioxide Reduction Catalyzed by Dinuclear Ruthenium Polypyridyl Complexes. Issue 12 (26th August 2013) Authors: Ono, Takashi; Planas, Nora; Miró, Pere; Ertem, Mehmed Z.; Escudero‐Adán, Eduardo C.; Benet‐Buchholz, Jordi; Gagliardi, Laura; Cramer, Christopher J.; Llobet, Antoni Journal: ChemCatChem Issue: Volume 5:Issue 12(2013:Dec.) Page Start: 3897 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. ChemInform Abstract: Quantum‐Chemical Characterization of the Properties and Reactivities of Metal‐Organic Frameworks. Issue 32 (August 2015) Authors: Odoh, Samuel O.; Cramer, Christopher J.; Truhlar, Donald G.; Gagliardi, Laura Journal: ChemInform Issue: Volume 46:Issue 32(2015) Page Start: no Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Computational screening of metal–organic frameworks for biogas purification. Issue 6 (15th October 2019) Authors: Demir, Hakan; Cramer, Christopher J.; Siepmann, J. Ilja Journal: Molecular Systems Design and Engineering Issue: Volume 4:Issue 6(2019) Page Start: 1125 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Excited-state absorption in tetrapyridyl porphyrins: comparing real-time and quadratic-response time-dependent density functional theory. Issue 40 (4th October 2017) Authors: Bowman, David N.; Asher, Jason C.; Fischer, Sean A.; Cramer, Christopher J.; Govind, Niranjan Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 40(2017) Page Start: 27452 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Facile Conversion of syn‐[FeIV(O)(TMC)]2+ into the anti Isomer via Meunier's Oxo–Hydroxo Tautomerism Mechanism. (17th January 2019) Authors: Prakash, Jai; Sheng, Yuan; Draksharapu, Apparao; Klein, Johannes E. M. N.; Cramer, Christopher J.; Que, Lawrence Journal: Angewandte Chemie Issue: Volume 131:Number 7(2019) Page Start: 2017 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗