Browse by Subject POTENTIAL-ENERGY SURFACES
Showing results 1 to 24 of 24
| Advances in methods and algorithms in a modern quantum chemistry program package Shao, Y; Molnar, LF; Jung, Yousung; Kussmann, J; Ochsenfeld, C; Brown, ST; Gilbert, ATB; et al, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.8, no.27, pp.3172 - 3191, 2006 |
| Artificial neural network for the configuration problem in solids Ji, Hyunjun; Jung, Yousung, JOURNAL OF CHEMICAL PHYSICS, v.146, no.6, 2017-02 |
| Density Functional and ab Initio Investigation of CF(2)ICF(2)I and CF(2)CF(2)I Radicals in Gas and Solution Phases Kim, Joonghan; Jun, Sunhong; Kim, Jeongho; Ihee, Hyotcherl, JOURNAL OF PHYSICAL CHEMISTRY A, v.113, no.41, pp.11059 - 11066, 2009-10 |
| Density Functional and Spin-Orbit Ab Initio Study of CF3Br: Molecular Properties and Electronic Curve Crossing Kim, Joonghan; Kim, Tae Kyu; Ihee, Hyotcherl, JOURNAL OF PHYSICAL CHEMISTRY A, v.115, no.7, pp.1264 - 1271, 2011-02 |
| Diabatic Population Matrix Formalism for Performing Molecular Mechanics Style Simulations with Multiple Electronic States Park, Jae Woo; Rhee, Young Min, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.10, no.12, pp.5238 - 5253, 2014-12 |
| Does the harpooning model apply to the alkali-dihydrogen reactions, A*+H-2 -> AH+H? Jeung, GH; Lee, HS; Kim, KH; Lee, Yoon Sup, CHEMICAL PHYSICS LETTERS, v.358, no.1-2, pp.151 - 156, 2002-05 |
| Dynamic Role of the Intramolecular Hydrogen Bonding in the S<sub>1</sub> State Relaxation Dynamics Revealed by the Direct Measurement of the Mode-Dependent Internal Conversion Rate of 2-Chlorophenol and 2-Chlorothiophenol Kim, Junggil; Woo, Kyung Chul; Kang, Minseok; Kim, Sang Kyu, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.14, no.38, pp.8428 - 8436, 2023-09 |
| Efficient Basin-Hopping Sampling of Reaction Intermediates through Molecular Fragmentation and Graph Theory Kim, Yeonjoon; Choi, Sunghwan; Kim, Woo Youn, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.10, no.6, pp.2419 - 2426, 2014-06 |
| Electric Field Keeps Chromophore Planar and Produces High Yield Fluorescence in Green Fluorescent Protein Park, Jae Woo; Rhee, Young Min, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.138, no.41, pp.13619 - 13629, 2016-10 |
| Emission shaping in fluorescent proteins: role of electrostatics and pi-stacking Park, Jae Woo; Rhee, Young Min, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.18, no.5, pp.3944 - 3955, 2016-02 |
| Excited State Intramolecular Proton Transfer and Charge Transfer Dynamics of a 2-(2 '-Hydroxyphenyl)benzoxazole Derivative in Solution Kim, Chul Hoon; Park, Jaehun; Seo, Jangwon; Park, Soo Young; Joo, Taiha, JOURNAL OF PHYSICAL CHEMISTRY A, v.114, no.18, pp.5618 - 5629, 2010-05 |
| Interpolated Mechanics-Molecular Mechanics Study of Internal Rotation Dynamics of the Chromophore Unit in Blue Fluorescent Protein and Its Variants Park, Jae Woo; Rhee, Young Min, JOURNAL OF PHYSICAL CHEMISTRY B, v.116, no.36, pp.11137 - 11147, 2012-09 |
| Interpolation for molecular dynamics simulations: from ions in gas phase to proteins in solution Rhee, Young Min; Park, Jae Woo, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.8, pp.573 - 577, 2016-04 |
| Modeling Charge Flux by Interpolating Atomic Partial Charges Kim, Seung Soo; Rhee, Young Min, JOURNAL OF CHEMICAL INFORMATION AND MODELING, v.59, no.6, pp.2837 - 2849, 2019-06 |
Multidimensional characterization of the conical intersection seam in the normal mode space Lee, Heesung; Kim, So-Yeon; Kim, Sang-Kyu, CHEMICAL SCIENCE, v.11, no.11, pp.6856 - 6861, 2020-07 |
| Photodissociation Dynamics of C2H4BrCl: Nonadiabatic Dynamics with Intrinsic Cs Symmetry Lee, Kyoung-Seok; Paul, Dababrata; Hong, Kiryong; Cho, Ha Na; Jung, Kwang-Woo; Kim, Tae Kyu, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.30, no.12, pp.2962 - 2968, 2009-12 |
| Photodissociation of C3H5Br and C4H7Br at 234 nm Kim, Hyun Kook; Paul, Dababrata; Hong, Kiryong; Cho, Hana; Lee, Kyoung-Seok; Kim, Tae Kyu, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.33, no.1, pp.143 - 148, 2012-01 |
| pi sigma*-Mediated Nonadiabatic Tunneling Dynamics of Thiophenols in S-1: The Semiclassical Approaches Kim, Junggil; Woo, Kyung Chul; Kim, Kuk Ki; Kim, Sang Kyu, JOURNAL OF PHYSICAL CHEMISTRY A, v.126, no.51, pp.9594 - 9604, 2022-12 |
| Probe of I(2Pj) atoms using two-photon resonant four-wave mixing spectroscopy following the 266-nm photodissociations of various alkyl and perfluoroalkyl iodides Lee, Kyoung-Seok; Lee, Keon Woo; Lee, Sang Kuk; Jung, Kyung Hoon; Kim, Tae Kyu, JOURNAL OF MOLECULAR SPECTROSCOPY, v.249, no.1, pp.43 - 50, 2008-05 |
| Rovibrational-Specific QCT and Master Equation Study on N-2(X-1?(+)(g)) + O(P-3) and NO(X-2?) + N(S-4) Systems in High-Energy Collisions Jo, Sung Min; Venturi, Simone; Sharma, Maitreyee P.; Munafo, Alessandro; Panesi, Marco, JOURNAL OF PHYSICAL CHEMISTRY A, v.126, no.21, pp.3273 - 3290, 2022-05 |
| Spin-orbit ab initio study of two low-lying states of chloroiodomethane cation Kim, Joonghan; Ihee, Hyotcherl; Lee, Yoon Sup, THEORETICAL CHEMISTRY ACCOUNTS, v.129, no.3-5, pp.343 - 347, 2011-06 |
| Thermochemical relaxation in shock tunnels Park, Chul, JOURNAL OF THERMOPHYSICS AND HEAT TRANSFER, v.20, no.4, pp.689 - 698, 2006 |
| Towards the Realization of Ab Initio Dynamics at the Speed of Molecular Mechanics: Simulations with Interpolated Diabatic Hamiltonian Park, Jae Woo; Rhee, Young Min, CHEMPHYSCHEM, v.15, no.15, pp.3183 - 3193, 2014-10 |
| Tunneling dynamics dictated by the multidimensional conical intersection seam in the pi sigma*-mediated photochemistry of heteroaromatic molecules Kim, Junggil; Woo, Kyung Chul; Kim, Kuk Ki; Kang, Minseok; Kim, Sang Kyu, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.43, no.2, pp.150 - 164, 2022-02 |
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