검색결과 : 16건
| No. | Article |
|---|---|
| 1 |
Selecting Quantum-Chemical Methods for Lanthanide-Containing Molecules: A Balance between Accuracy and Efficiency McCarver GA, Hinde RJ, Vogiatzis KD Inorganic Chemistry, 59(15), 10492, 2020 |
| 2 |
RETRACTION: Pushing Single-Oxygen-Atom-Bridged Bimetallic Systems to the Right: A Cryptand-Encapsulated Co-O-Co Unit (Retraction of Vol 137, Pg 15354, 2015) Stauber JM, Bloch ED, Vogiatzis KD, Zheng SL, Hadt RG, Hayes D, Chen LX, Gagliardi L, Nocera DG, Cummins CC Journal of the American Chemical Society, 142(14), 6834, 2020 |
| 3 |
Elastic Single-Ion Conducting Polymer Electrolytes: Toward a Versatile Approach for Intrinsically Stretchable Functional Polymers Cao PF, Li BR, Yang G, Zhao S, Townsend J, Xing KY, Qiang Z, Vogiatzis KD, Sokolov AP, Nanda J, Saito T Macromolecules, 53(9), 3591, 2020 |
| 4 |
Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities Vogiatzis KD, Polynski MV, Kirkland JK, Townsend J, Hashemi A, Liu C, Pidko EA Chemical Reviews, 119(4), 2453, 2019 |
| 5 |
Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal-Organic Framework Database: CoRE MOF 2019 Chung YG, Haldoupis E, Bucior BJ, Haranczyk M, Lee S, Zhang HD, Vogiatzis KD, Milisavljevic M, Ling SL, Camp JS, Slater B, Siepmann JI, Sholl DS, Snurr RQ Journal of Chemical and Engineering Data, 64(12), 5985, 2019 |
| 6 |
Understanding the Nature of Weak Interactions between Functionalized Boranes and N-2/O-2, Promising Functional Groups for Gas Separations Townsend J, Braunscheidel NM, Vogiatzis KD Journal of Physical Chemistry A, 123(15), 3315, 2019 |
| 7 |
CO2 Capture on Functionalized Calixarenes: A Computational Study Hymel JH, Townsend J, Vogiatzis KD Journal of Physical Chemistry A, 123(46), 10116, 2019 |
| 8 |
Elimination of CO2/N-2 Langmuir Sorption and Promotion of "N-2-Phobicity" within High-T-g Glassy Membranes Maroon CR, Townsend J, Gmernicki KR, Harrigan DJ, Sundell BJ, Lawrence JA, Mahurin SM, Vogiatzis KD, Long BK Macromolecules, 52(4), 1589, 2019 |
| 9 |
Gas-Phase Ion Chemistry of Metalloporphyrin Anions with Molecular Oxygen: Probing the Influence of the Oxidation and Spin State of the Central Transition Metal by Experiment and Theory Archipov T, Kirkland JK, Vogiatzis KD, Steiner A, Niedner-Schatteburg G, Weis P, Fink K, Hampe O, Kappes MM Journal of Physical Chemistry A, 122(17), 4357, 2018 |
| 10 |
Quantum Chemical Characterization of Single Molecule Magnets Based on Uranium Spivak M, Vogiatzis KD, Cramer CJ, de Graaf C, Gagliardi L Journal of Physical Chemistry A, 121(8), 1727, 2017 |