Browse by Subject CORRELATED MOLECULAR CALCULATIONS

Showing results 1 to 7 of 7

1
Dispersion-Oriented Soft Interaction in a Frustrated Lewis Pair and the Entropic Encouragement Effect in its Formation

Kim, Hyun Woo; Rhee, Young Min, CHEMISTRY-A EUROPEAN JOURNAL, v.15, no.48, pp.13348 - 13355, 2009

2
Mechanistic Study of Metal-Ligand Cooperativity in Mn(II)-Catalyzed Hydroborations: Hemilabile SNS Ligand Enables Metal Hydride-Free Reaction Pathway

Elsby, Matthew R.; Son, Mina; Oh, Changjin; Martin, Jessica; Baik, Mu-Hyun; Baker, R. Tom, ACS CATALYSIS, v.11, no.15, pp.9043 - 9051, 2021-08

3
MP2 basis set limit binding energy estimates of hydrogen-bonded complexes from extrapolation-oriented basis sets

Young C.P.; Jae S.L., BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.28, no.3, pp.386 - 390, 2007

4
Predictions of the sulfur and carbon kinetic isotope effects in the OH plus OCS reaction

Schmidt, J. A.; Johnson, M. S.; Jung, Yousung; Danielache, S. O.; Hattori, S.; Yoshida, N., CHEMICAL PHYSICS LETTERS, v.531, pp.64 - 69, 2012-04

5
Spin-state crossover in photo-catalyzed nitrile dihydroboration via Mn-thiolate cooperation

Elsby, Matthew R.; Oh, Changjin; Son, Mina; Kim, Scott Y. H.; Baik, Mu-Hyun; Baker, R. Tom, CHEMICAL SCIENCE, v.13, no.42, pp.12550 - 12559, 2022-10

6
Switching Chemoselectivity Based on the Ring Size: How to Make Ring-Fused Indoles Using Transition-Metal-Mediated Cross-Coupling

Kim, Jang-Yeop; Lee, Woojong; Kang, Hyung-Joon; Jeon, Tae-Hong; Baik, Mu-Hyun; Cho, Cheon-Gyu, ACS CATALYSIS, v.11, no.20, pp.12821 - 12832, 2021-10

7
Two-Component Spin-orbit Effective Core Potential Calculations with an All-electron Relativistic Program DIRAC

Park, Young-Choon; Lim, Ivan S.; Lee, Yoon-Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.33, no.3, pp.803 - 808, 2012-03

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