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| NO | Title, Author(s) (Publication Title, Volume Issue, Page, Issue Date) |
|---|---|
| New Insights into the Structure of the Vapor/Water Interface from Large-Scale First-Principles Simulations Kuhne, TD; Pascal, TA; Kaxiras, E; Jung, Yousung, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.2, no.2, pp.105 - 113, 2011-01 | |
| 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; Slipchenko, LV; Levchenko, SV; O'Neill, DP; DiStasio, RA; Lochan, RC; Wang, T; Beran, GJO; Besley, NA; Herbert, JM; Lin, CY; Van Voorhis, T; Chien, SH; Sodt, A; Steele, RP; Rassolov, VA; Maslen, PE; Korambath, PP; Adamson, RD; Austin, B; Baker, J; Byrd, EFC; Dachsel, H; Doerksen, RJ; Dreuw, A; Dunietz, BD; Dutoi, AD; Furlani, TR; Gwaltney, SR; Heyden, A; Hirata, S; Hsu, CP; Kedziora, G; Khalliulin, RZ; Klunzinger, P; Lee, AM; Lee, MS; Liang, W; Lotan, I; Nair, N; Peters, B; Proynov, EI; Pieniazek, PA; Rhee, Young Min; Ritchie, J; Rosta, E; Sherrill, CD; Simmonett, AC; Subotnik, JE; Woodcock, HL; Zhang, W; Bell, AT; Chakraborty, AK; Chipman, DM; Keil, FJ; Warshel, A; Hehre, WJ; Schaefer, HF; Kong, J; Krylov, AI; Gill, PMW; Head-Gordon, M, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.8, no.27, pp.3172 - 3191, 2006 | |
| Phenol-benzene complexation dynamics: Quantum chemistry calculation, molecular dynamics simulations, and two dimensional IR spectroscopy Kwac, K; Lee, C; Jung, Yousung; Han, J; Kwak, K; Zheng, JR; Fayer, MD; Cho, M, JOURNAL OF CHEMICAL PHYSICS, v.125, no.24, 2006-12 | |
| On the theory of organic catalysis on water Jung, Yousung; Marcus, RA, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.129, no.17, pp.5492 - 5502, 2007-05 | |
| Ab initio quantum chemistry calculations on the electronic structure of heavier alkyne congeners: Diradical character and reactivity Jung, Yousung; Brynda, M; Power, PP; Head-Gordon, M, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.128, no.22, pp.7185 - 7192, 2006-06 | |
| A fast correlated electronic structure method for computing interaction energies of large van der Waals complexes applied to the fullerene-porphyrin dimer Jung, Yousung; Head-Gordon, M, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.8, no.24, pp.2831 - 2840, 2006 | |
| Intermolecular,pi-to-pi bonding between stacked aromatic dyads. Experimental and theoretical binding energies and near-IR optical transitions for phenalenyl radical/radical versus radical/cation dimerizations Small, D; Zaitsev, V; Jung, Yousung; Rosokha, SV; Head-Gordon, M; Kochi, JK, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.126, no.42, pp.13850 - 13858, 2004-10 | |
| Controlling the extent of diradical character by utilizing neighboring group interactions Jung, Yousung; Head-Gordon, M, JOURNAL OF PHYSICAL CHEMISTRY A, v.107, no.38, pp.7475 - 7481, 2003-09 | |
| Aromaticity of four-membered-ring 6 pi-electron systems: N2S2 and Li2C4H4 Jung, Yousung; Heine, T; Schleyer, PV; Head-Gordon, M, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.126, no.10, pp.3132 - 3138, 2004-03 | |
| Scaled opposite-spin second order Moller-Plesset correlation energy: An economical electronic structure method Jung, Yousung; Lochan, RC; Dutoi, AD; Head-Gordon, M, JOURNAL OF CHEMICAL PHYSICS, v.121, no.20, pp.9793 - 9802, 2004-11 |
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