Browse by Subject QUANTUM-CHEMISTRY

Showing results 1 to 8 of 8

1
Diagnostics in computational organic chemistry

Fisher, Grantresearcher, FOUNDATIONS OF CHEMISTRY, v.18, no.3, pp.241 - 262, 2016-10

2
Enthalpy-Entropy Interplay in pi-Stacking Interaction of Benzene Dimer in Water

Lee, Hankyul; Dehez, Francois; Chipot, Christophe; Lim, Hyung-Kyu; Kim, Hyungjunresearcher, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.15, no.3, pp.1538 - 1545, 2019-03

3
Feasibility of Activation Energy Prediction of Gas-Phase Reactions by Machine Learning

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

4
High-efficiency and high-power rechargeable lithium-sulfur dioxide batteries exploiting conventional carbonate-based electrolytes

Park, Hyeokjun; Lim, Hee-Dae; Lim, Hyung Kyu; Seong, Won Mo; Moon, Sehwan; Ko, Youngmin; Lee, Byungju; et al, NATURE COMMUNICATIONS, v.8, 2017-05

5
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

6
On the theory of organic catalysis on water

Jung, Yousungresearcher; Marcus, RA, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.129, no.17, pp.5492 - 5502, 2007-05

7
Quasidegenerate scaled opposite spin second order perturbation corrections to single excitation configuration interaction

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

8
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 Supresearcher, CHEMICAL PHYSICS LETTERS, v.293, no.1-2, pp.97 - 102, 1998-08

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