발행물

전체 논문

145

101

Spatial distribution modulation of mixed building blocks in metal-organic frameworks
Jeong, S, Seong, J, Moon, SW, Lim, J, Baek, SB, Min, SK, Lah, MS
NATURE COMMUNICATIONS, 202202

102

Proton affinity and gas phase basicity of diamandoid molecules: diamantane to C131H116
Camacho-Mojica, DC, Ha, JK, Min, SK, Vianello, R, Ruoff, RS
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 202201

103

Electrochemical Formation of a Covalent-Ionic Stage-1 Graphite Intercalation Compound with Trifluoroacetic Acid
Gurzeda, B, Kim, TI, Arsakay, M, Choe, M, Lee, SH, Lee, Z, Min, SK, Ruoff, RS
CHEMISTRY OF MATERIALS, 202201

104

PyUNIxMD: A Python-based excited state molecular dynamics package
Lee, IS, Ha, JK, Han, D, Kim, TI, Moon, SW, Min, SK
JOURNAL OF COMPUTATIONAL CHEMISTRY, 202109

105

Study of the Decoherence Correction Derived from the Exact Factorization Approach for Nonadiabatic Dynamics
Vindel-Zandbergen, P, Ibele, LM, Ha, JK, Min, SK, Curchod, BFE, Maitra, NT
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 202107

106

pH-Responsive Amphiphilic Polyether Micelles with Superior Stability for Smart Drug Delivery
Son, I, Lee, Y, Baek, J, Park, M, Han, D, Min, SK, Lee, D, Kim, BS
BIOMACROMOLECULES, 202105

107

Machine Learning-Assisted Excited State Molecular Dynamics with the State-Interaction State-Averaged Spin-Restricted Ensemble-Referenced Kohn-Sham Approach
Ha, JK, Kim, K, Min, SK
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 202102

108

Self­Assembly of Mitochondria­Targeted Photosensitizer to Increase Photostability and Photodynamic Therapeutic Efficacy in Hypoxia
Jana, B, Thomas, AP, Kim, S, Lee, IS, Choi, H, Jin, S, Park, SA, Min, SK, Kim, C, Ryu, JH
CHEMISTRY-A EUROPEAN JOURNAL, 202008

109

Effect of Pt Crystal Surface on Hydrogenation of Monolayer h-BN and Its Conversion to Graphene
Kim, M, Moon, SW, Kim, G, Yoon, SI, Kim, K, Min, SK, Shin, HS
CHEMISTRY OF MATERIALS, 202006

110

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
Hourahine, B., Aradi, B., Blum, V., Bonafe, F., Buccheri, A., Camacho, C., Cevallos, C., Deshaye, M. Y., Dumitric?, T., Dominguez, A., Ehlert, S., Elstner, M., van der Heide, T., Hermann, J., Irle, S., Kranz, J. J., Kohler, C., Kowalczyk, T., Kuba?, T., Lee, I. S., Lutsker, V., Maurer, R. J., Min, SK, Mitchell, I., Negre, C., Niehaus, T. A., Niklasson, A. M. N., Page, A. J., Pecchia, A., Penazzi, G., Persson, M. P., ?eza?, J., Sanchez, C. G., Sternberg, M., Stohr, M., Stuckenberg, F., Tkatchenko, A., Yu, V. W.-z., Frauenheim, T.
JOURNAL OF CHEMICAL PHYSICS, 202003