Browse "College of Natural Sciences(자연과학대학)" by Subject BASIS-SETS
Showing results 1 to 28 of 28
| A proton transfer network that generates deprotonated tyrosine is a key to producing reactive oxygen species in phototoxic KillerRed protein Lee, Wook; Kim, Inkoo; Rhee, Young Min, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.20, no.34, pp.22342 - 22350, 2018-09 |
| Analytical gradient of restricted second-order Moller-Plesset correlation energy with the resolution of the identity approximation, applied to the TCNE dimer anion complex Rhee, Young Min; DiStasio, Robert A., Jr.; Lochan, Rohini C.; Head-Gordon, Martin, CHEMICAL PHYSICS LETTERS, v.426, no.1-3, pp.197 - 203, 2006-07 |
| Charged polycyclic aromatic hydrocarbon clusters and the galactic extended red emission Rhee, Young Min; Lee, Timothy J.; Gudipati, Murthy S.; Allamandola, Louis J.; Head-Gordon, Martin, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.104, no.13, pp.5274 - 5278, 2007-03 |
| Controlled Regulation of the Nitrile Activation of a Peroxocobalt(III) Complex with Redox-Inactive Lewis Acidic Metals Kim, Kyungmin; Cho, Dasol; Noh, Hyeonju; Ohta, Takehiro; Baik, Mu-Hyun; Cho, Jaeheung, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.143, no.30, pp.11382 - 11392, 2021-08 |
| Copper(ii) and zinc(ii) complexation with N-ethylene hydroxycyclams and consequences on the macrocyclic backbone configuration AlHaddad, Nancy; Lelong, Evan; Suh, Jong-Min; Cordier, Marie; Lim, Mi Hee; Royal, Guy; Platas-Iglesias, Carlos; et al, DALTON TRANSACTIONS, v.51, no.22, pp.8640 - 8656, 2022-06 |
| Do Planar Tetracoordinate Fluorine Atoms Exist? Revisiting a Theoretical Prediction Kim, Joonghan; Park, Eunji; Park, Jeongmin; Kim, Jungyoon; Seo, Wonil; Oh, Dakyeung; Lee, Junho; et al, JOURNAL OF PHYSICAL CHEMISTRY A, v.127, no.28, pp.5815 - 5822, 2023-07 |
| Effects of the magnetic part of the Breit term on bonding: Model calculations with small diatomic molecules Ryu, S; Baeck, KK; Han, YK; Lee, Yoon Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.22, no.9, pp.969 - 974, 2001-09 |
| Enantioselective Rhodium-Catalyzed Pauson-Khand Reactions of 1,6-Chloroenynes with 1,1-Disubstituted Olefins Ylagan, Ridge Michael P.; Lee, Eric Jaewon; Negru, Daniela E.; Ricci, Paolo; Park, Bohyun; Ryu, Haram; Baik, Mu-Hyun; et al, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.62, no.23, 2023-06 |
| Ground and low-lying excited states of PtCN and PdCN: theoretical investigation including spin-orbit coupling Moon, Jiwon; Kim, Tae Kyu; Kim, Joonghan, THEORETICAL CHEMISTRY ACCOUNTS, v.135, no.5, 2016-04 |
| Hydrogen transfer between ligands: A density functional study of the rearrangement of M(eta(6)-C7H8)(2) into M(eta(7)-C7H7)(eta(5)-C7H9) [M = Mo, Mo+, Zr] Herbert, BJ; Baik, Mu-Hyun; Green, JC, ORGANOMETALLICS, v.23, no.11, pp.2658 - 2669, 2004-05 |
| Installing a molecular truss beam stabilizes MOF structures Kim, Hong Ki; Jung, Jong-Yeong; Kang, Gyumin; Baik, Mu-Hyun; Choi, Eun-Young, NPJ COMPUTATIONAL MATERIALS, v.8, no.1, 2022-05 |
| Iridium-Catalyzed Hydrogenation of a Phenoxy Radical to the Phenol: Overcoming Catalyst Deactivation with Visible Light Irradiation Kim, Junho; Park, Yoonsu; Chirik, Paul J., INORGANIC CHEMISTRY, v.62, no.48, pp.19582 - 19592, 2023-11 |
| Local intermolecular interactions for selective CO2 capture by zeolitic imidazole frameworks: energy decomposition analysis Park, Ji Young; Lee, Yoon Sup; Jung, Yousung, JOURNAL OF NANOPARTICLE RESEARCH, v.14, no.4, 2012-04 |
| Modeling nuclear resonance vibrational spectroscopic data of binuclear nonheme iron enzymes using density functional theory Park, Kiyoung; Solomon, Edward I., CANADIAN JOURNAL OF CHEMISTRY, v.92, no.10, pp.975 - 978, 2014-10 |
| Molecule-specific determination of atomic polarizabilities with the polarizable atomic multipole model Kim, Hyun Woo; Rhee, Young Min, JOURNAL OF COMPUTATIONAL CHEMISTRY, v.33, no.20, pp.1662 - 1672, 2012-07 |
| OPTIMAL USE OF THE RECURRENCE RELATIONS FOR THE EVALUATION OF MOLECULAR INTEGRALS OVER CARTESIAN GAUSSIAN-BASIS FUNCTIONS RYU, U; KIM, M; Lee, Yoon Sup, JOURNAL OF COMPUTATIONAL CHEMISTRY, v.14, no.1, pp.30 - 36, 1993-01 |
| Palladium-Catalyzed Divergent Arylation of Triazolopyridines: A Computational Study AbuSalim, Deyaa I.; Hong, Sungwoo; Baik, Mu-Hyun, CHEMISTRY-AN ASIAN JOURNAL, v.13, no.17, pp.2505 - 2510, 2018-09 |
| pi-pi Interaction energies in monosubstituted-benzene dimers in parallel- and antiparallel-displaced conformations Seo, Jung-In; Kim, Inkoo; Lee, Yoon Sup, CHEMICAL PHYSICS LETTERS, v.474, no.1-3, pp.101 - 106, 2009-05 |
| Quartic-Scaling Analytical Gradient of Quasidegenerate Scaled Opposite Spin Second-Order Perturbation Corrections to Single Excitation Configuration Interaction Rhee, Young Min; Casanova, David; Head-Gordon, Martin, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.5, no.5, pp.1224 - 1236, 2009-05 |
| 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 |
| Reaction of a Molybdenum Bis(dinitrogen) Complex with Carbon Dioxide: A Combined Experimental and Computational Investigation Pal, Raja; Kim, Suyeon; Lee, Woojong; Mena, Matthew R.; Khurshid, Afshan; Ghosh, Chandrani; Groy, Thomas L.; et al, INORGANIC CHEMISTRY, v.60, no.11, pp.7708 - 7718, 2021-06 |
Ruthenium(ii)-catalyzed regioselective direct C4-and C5-diamidation of indoles and mechanistic studies Devkota, Shreedhar; Kim, Suyeon; Yoo, Seok Yeol; Mohandoss, Sonaimuthu; Baik, Mu-Hyun; Lee, Yong Rok, CHEMICAL SCIENCE, v.12, no.34, pp.11427 - 11437, 2021-09 |
| Scaled second-order perturbation corrections to configuration interaction singles: Efficient and reliable excitation energy methods Rhee, Young Min; Head-Gordon, Martin, JOURNAL OF PHYSICAL CHEMISTRY A, v.111, no.24, pp.5314 - 5326, 2007-06 |
| Selective ring expansion and C-H functionalization of azulenes Park, Sangjune; Kim, Cheol-Eui; Jeong, Jinhoon; Ryu, Ho; Maeng, Chanyoung; Kim, Dongwook; Baik, Mu-Hyun; et al, NATURE COMMUNICATIONS, v.14, no.1, 2023-12 |
| Strong Spin-Orbit Coupling Facilitates C-H Activation in the Reactions of Os+ with CH3F: Theoretical Investigations Kim, Joonghan; Hong, Kiryong; Kim, Hyun Kook; Lee, Yoon Sup; Kim, Tae Kyu, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.9, no.2, pp.1087 - 1092, 2013-02 |
| Substituent effects on the Z/E-selectivity in cross-metathesis of conjugated enynes Kang, B; Lee, JM; Kwak, J; Lee, Yoon Sup; Chang, Sukbok, JOURNAL OF ORGANIC CHEMISTRY, v.69, no.22, pp.7661 - 7664, 2004-10 |
| The mechanism of selective catalytic reduction of NOx on Cu-SSZ-13-a computational study Crandell, Douglas W.; Zhu, Haiyang; Yang, Xiaofan; Hochmuth, John; Baik, Mu-Hyun, DALTON TRANSACTIONS, v.46, no.2, pp.369 - 377, 2017 |
| Transient metal-centered states mediate isomerization of a photochromic rutheniumsulfoxide complex Cordones, Amy A.; Lee, Jae Hyuk; Hong, Kiryong; Cho, Hana; Garg, Komal; Boggio-Pasqua, Martial; Rack, Jeffrey J.; et al, NATURE COMMUNICATIONS, v.9, 2018-05 |
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Date issued
- 3,058 2020 - 2024
- 10,007 2010 - 2019
- 7,104 2000 - 2009
- 5,174 1990 - 1999
- 1,970 1980 - 1989