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Showing results 1 to 6 of 6

1
Comparing the Electronic Structure of Iron, Cobalt, and Nickel Compounds That Feature a Phosphine-Substituted Bis(imino)pyridine Chelate

Mena, Matthew R.; Kim, Jun-Hyeong; So, Sangho; Ben-Daat, Hagit; Porter, Tyler M.; Ghosh, Chandrani; Sharma, Anuja; et al, INORGANIC CHEMISTRY, v.61, no.17, pp.6438 - 6450, 2022-05

2
Feasibility of Activation Energy Prediction of Gas-Phase Reactions by Machine Learning

Choi, Sunghwan; Kim, Yeonjoon; Kim, Jin Woo; Kim, Zeehyo; Kim, Woo Youn, CHEMISTRY-A EUROPEAN JOURNAL, v.24, no.47, pp.12354 - 12358, 2018-08

3
Maximizing Property Tuning of Phosphorus Corrole Photocatalysts through a Trifluoromethylation Approach

Zhan, Xuan; Teplitzky, Peter; Diskin-Posner, Yael; Sundararajan, Mahesh; Ullah, Zakir; Chen, Qiu-Cheng; Shimon, Linda J. W.; et al, INORGANIC CHEMISTRY, v.58, no.9, pp.6184 - 6198, 2019-05

4
Quasidegenerate scaled opposite spin second order perturbation corrections to single excitation configuration interaction

Casanova, David; Rhee, Young Min; Head-Gordon, Martin, JOURNAL OF CHEMICAL PHYSICS, v.128, no.16, 2008-04

5
Regioselective Oxidation of C-H Bonds in Unactivated Alkanes by a Vanadium Superoxo Catalyst Bound to a Supramolecular Host

Sundararajan, Mahesh; Park, Bohyun; Baik, Mu-Hyun, INORGANIC CHEMISTRY, v.58, no.23, pp.16250 - 16255, 2019-12

6
Spin-orbit effects calculated by two-component coupled-cluster methods: test calculations on AuH, Au-2, TlH and Tl-2

Lee, HS; Han, YK; Kim, MC; Bae, CB; Lee, Yoon Sup, CHEMICAL PHYSICS LETTERS, v.293, no.1-2, pp.97 - 102, 1998-08

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