Browse "CH-Journal Papers(저널논문)" by Subject DENSITY-FUNCTIONAL THEORY
Showing results 80 to 90 of 90
| Terahertz Phonon Modes of Highly Efficient Electro-optic Phenyltriene OH1 Crystals Kim, Jongtaek; Lee, Seung-Heon; Lee, Seung-Chul; Jazbinsek, Mojca; Miyamoto, Katsuhiko; Omatsu, Takashige; Lee, Yoon Sup; et al, JOURNAL OF PHYSICAL CHEMISTRY C, v.120, no.42, pp.24360 - 24369, 2016-10 |
| The Electronic Structure of [Mn(V)=O]: What is the Connection between Oxyl Radical Character, Physical Oxidation State, and Reactivity? Ashley, Daniel Charles; Baik, Mu-Hyun, ACS CATALYSIS, v.6, no.10, pp.7202 - 7216, 2016-10 |
| The Mechanism of Guanine Alkylation by Nitrogen Mustards: A Computational Study Polavarapu, Abhigna; Stillabower, Jacob A.; Stubblefield, Skyler G. W.; Taylor, William M.; Baik, Mu-Hyun, JOURNAL OF ORGANIC CHEMISTRY, v.77, no.14, pp.5914 - 5921, 2012-07 |
| Theoretical SERS study of the strength and suitability of Cu12 nanostar for SERS: Complete theoretical studies, coinage metal SM12 comparisons, benzothiazole (BTH) adsorbent Al-Otaibi, Jamelah S.; Mary, Y. Sheena; Mary, Y. Shyma; Trivedi, Ravi Kumar; Chakraborty, Brahmananda; Churchill, David G., COMPUTATIONAL AND THEORETICAL CHEMISTRY, v.1217, 2022-11 |
| Theoretical studies of diiron(II) complexes that model features of the dioxygen-activating centers in non-heme diiron enzymes Baik, Mu-Hyun; Lee, D; Friesner, RA; Lippard, SJ, ISRAEL JOURNAL OF CHEMISTRY, v.41, no.3, pp.173 - 186, 2001 |
| Theoretical study for solvent effect on the potential energy surface for the double proton transfer in formic acid dimer and formamidine dimer Lim, JH; Lee, Eok Kyun; Kim, Y, JOURNAL OF PHYSICAL CHEMISTRY A, v.101, no.12, pp.2233 - 2239, 1997-03 |
| Theoretical study of cisplatin binding to purine bases: Why does cisplatin prefer guanine over adenine? Baik, Mu-Hyun; Friesner, RA; Lippard, SJ, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.125, no.46, pp.14082 - 14092, 2003-11 |
| Theoretical Study on the Reaction of Ti(+) with Acetone and the Role of Intersystem Crossing Kim, Joonghan; Kim, Tae Kyu; Ihee, Hyotcherl, JOURNAL OF PHYSICAL CHEMISTRY A, v.113, no.42, pp.11382 - 11389, 2009-10 |
| Theoretical study on the stability of N-glycosyl bonds: Why does N7-platination not promote depurination? Baik, Mu-Hyun; Friesner, RA; Lippard, SJ, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.124, no.16, pp.4495 - 4503, 2002-04 |
| Two-Electron Redox Energetics in Ligand-Bridged Dinuclear Molybdenum and Tungsten Complexes Lord, Richard L.; Schultz, Franklin A.; Baik, Mu-Hyun, INORGANIC CHEMISTRY, v.49, no.10, pp.4611 - 4619, 2010-05 |
| Understanding Intrinsically Irreversible, Non-Nernstian, Two-Electron Redox Processes: A Combined Experimental and Computational Study of the Electrochemical Activation of Platinum(IV) Antitumor Prodrugs McCormick, Meghan C.; Keijzer, Karlijn; Polavarapu, Abhigna; Schultz, Franklin A.; Baik, Mu-Hyun, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.136, no.25, pp.8992 - 9000, 2014-06 |
Discover
Type
- 5,807 Article
Open Access
- 303 OA Article
Date issued
- 914 2020 - 2024
- 2,186 2010 - 2019
- 1,655 2000 - 2009
- 759 1990 - 1999
- 257 1980 - 1989