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Tests of an exact-exchange-based density-functional theory on transition-metal complexes

✍ Scribed by Johnson, Erin R.; Becke, Axel D.

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Geometries of Transition-Metal Complexes

✍ Bühl, Michael; Kabrede, Hendrik 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 105 KB

Accurate magnetic exchange couplings in

✍ Rudra, Indranil; Wu, Qin; Van Voorhis, Troy 📂 Article 📅 2006 🏛 American Institute of Physics 🌐 English ⚖ 591 KB

Impurity hamiltonian for transition meta

✍ Mykhaylo Krykunov 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 139 KB

Geometries of Third-Row Transition-Metal

✍ Bühl, Michael; Reimann, Christoph; Pantazis, Dimitrios A.; Bredow, Thomas; Nees 📂 Article 📅 2008 🏛 American Chemical Society 🌐 English ⚖ 170 KB

Geometries of Second-Row Transition-Meta

✍ Waller, Mark P.; Braun, Heiko; Hojdis, Nils; Bühl, Michael 📂 Article 📅 2007 🏛 American Chemical Society 🌐 English ⚖ 245 KB

Density Functional Calculations of Magne

✍ Bencini, Alessandro; Totti, Federico; Daul, Claude A.; Doclo, Karel; Fantucci, P 📂 Article 📅 1997 🏛 American Chemical Society 🌐 English ⚖ 334 KB