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Showing results 1 to 20 of 30

Issue DateTitleAuthor(s)TypeView
201707Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)CoherenceMin, Seung Kyu; Agostini, Federica; Tayernelli, Ivano; Gross, E. K. U.ARTICLE104
201706Adsorption of Carbon Tetrahalides on Coronene and GrapheneHa, Miran; Kim, Dong Yeon; Li, Nannan; Madridesjos, Jenica Marie L.; Park, In Kee; Youn, Il Seung; Lee, Joonho; Baig, Chunggi; Filatov, Michael; Min, Seung Kyu; Lee, Geunsik; Kim, Kwang S.ARTICLE239
200904Application of quantum chemistry to nanotechnology: electron and spin transport in molecular devicesKim, Woo Youn; Choi, Young Cheol; Min, Seung Kyu; Cho, Yeonchoo; Kim, Kwang S.ARTICLE375
201009Chiral Transformation in Protonated and Deprotonated Adipic Acids through Multistep Internal Proton TransferMin, Seung Kyu; Park, Mina; Singh, N. Jiten; Lee, Han Myoung; Lee, Eun Cheol; Kim, Kwang S.; Lagutschenkov, Anita; Niedner-Schatteburg, GereonARTICLE344
201106Chromium Porphyrin Arrays As Spintronic DevicesCho, Woo Jong; Cho, Yeonchoo; Min, Seung Kyu; Kim, Woo Youn; Kim, Kwang S.ARTICLE353
201104CO2 Capturing Mechanism in Aqueous Ammonia: NH3-Driven Decomposition-Recombination PathwayKim, Dong Young; Lee, Han Myoung; Min, Seung Kyu; Cho, Yeonchoo; Hwang, In-Chul; Han, Kunwoo; Kim, Je Young; Kim, Kwang S.ARTICLE410
201006Comparison of cationic, anionic and neutral hydrogen bonded dimersLee, Han Myoung; Kumar, Anupriya; Kolaski, Maciej; Kim, Dong Young; Lee, Eun Cheol; Min, Seung Kyu; Park, Mina; Choi, Young Cheol; Kim, Kwang S.ARTICLE357
200806Complete basis set limit of ab initio binding energies and geometrical parameters for various typical types of complexesMin, Seung Kyu; Lee, Eun Cheol; Lee, Han Myoung; Kim, Dong Young; Kim, Dongwook; Kim, Kwang S.ARTICLE421
200903Comprehensive Energy Analysis for Various Types of pi-InteractionSingh, N. Jiten; Min, Seung Kyu; Kim, Dong Young; Kim, Kwang S.ARTICLE388
201508Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic ProcessesMin, Seung Kyu; Agostini, Federica; Gross, Eberhard K. U.ARTICLE381
201809Direct Nonadiabatic Dynamics by Mixed Quantum-Classical Formalism Connected with Ensemble Density Functional Theory Method: Application to trans-Penta-2,4-dieniminium CationFilatov, Michael; Min, Seung Kyu; Kim, Kwang S.ARTICLE22
200603Dissolution nature of cesium fluoride by water moleculesSingh, Nongmaithem Jiten; Yi, Hai-Bo; Min, Seung Kyu; Park, Mina; Kim, Kwang S.ARTICLE334
201112Efficient electron dynamics with the planewave-based real-time time-dependent density functional theory: Absorption spectra, vibronic electronic spectra, and coupled electron-nucleus dynamicsMin, Seung Kyu; Cho, Yeonchoo; Kim, Kwang S.ARTICLE366
201103Fast DNA sequencing with a graphene-based nanochannel deviceMin, Seung Kyu; Kim, Woo Youn; Cho, Yeonchoo; Kim, Kwang S.ARTICLE306
201809Fulgides as Light-Driven Molecular Rotary Motors: Computational Design of a Prototype CompoundFilatov, Michael; Paolino, Marco; Min, Seung Kyu; Kim, Kwang S.ARTICLE27
200502Hydrated copper and gold monovalent cations: Ab initio studyLee, Han Myoung; Min, Seung Kyu; Lee, Eun Cheol; Min, Jung-Hyun; Odde, Srinivas; Kim, Kwang S.ARTICLE318
201412Is the Molecular Berry Phase an Artifact of the Born-Oppenheimer Approximation?Min, Seung Kyu; Abedi, Ali; Kim, Kwang S.; Gross, E. K. U.ARTICLE405
200606Magic and antimagic protonated water clusters: Exotic structures with unusual dynamic effectsSingh, N. Jiten; Park, Mina; Min, Seung Kyu; Suh, Seung Bum; Kim, Kwang S.ARTICLE339
200603Magic structures and quantum conductance of [110] silver nanowiresCheng, Dayong; Kim, Woo Youn; Min, Seung Kyu; Nautiyal, Tashi; Kim, Kwang S.ARTICLE297
200907Near-field focusing and magnification through self-assembled nanoscale spherical lensesLee, Ju Young; Hong, Byung Hee; Kim, Woo Youn; Min, Seung Kyu; Kim, Yukyung; Jouravlev, Mikhail V.; Bose, Ranojoy; Kim, Keun Soo; Hwang, In-Chul; Kaufman, Laura J.; Wong, Chee Wei; Kim, Philip; Kim, Kwang S.ARTICLE397
Showing results 1 to 20 of 30