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Results 11-20 of 141 (Search time: 0.01 seconds).
| NO | Title, Author(s) (Publication Title, Volume Issue, Page, Issue Date) |
|---|---|
| Na2FeP2O7 as a Promising Iron-Based Pyrophosphate Cathode for Sodium Rechargeable Batteries: A Combined Experimental and Theoretical Study Kim, Heejin; Shakoor, R. A.; Park, Chansun; Lim, Soo Yeon; Kim, Joo-Seong; Jo, Yong Nam; Cho, Woosuk; Miyasaka, Keiichi; Kahraman, Ramazan; Jung, Yousung; Choi, Jang Wook, ADVANCED FUNCTIONAL MATERIALS, v.23, no.9, pp.1147 - 1155, 2013-03 | |
| 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 | |
| A fast implementation of perfect pairing and imperfect pairing using the resolution of the identity approximation Sodt, A; Beran, GJO; Jung, Yousung; Austin, B; Head-Gordon, M, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.2, no.2, pp.300 - 305, 2006 | |
| Auxiliary basis expansions for large-scale electronic structure calculations Jung, Yousung; Sodt, A; Gill, PMW; Head-Gordon, M, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.102, no.19, pp.6692 - 6697, 2005-05 | |
| 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 | |
| Effects of ligands and spin-polarization on the preferred conformation of distannynes Kurlancheek, W; Jung, Yousung; Head-Gordon, M, DALTON TRANSACTIONS, pp.4428 - 4435, 2008 | |
| 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 | |
| A resolution-of-the-identity implementation of the local triatomics-in-molecules model for second-order Moller-Plesset perturbation theory with application to alanine tetrapeptide conformational energies DiStasio, RA; Jung, Yousung; Head-Gordon, M, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.1, no.5, pp.862 - 876, 2005 |
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