DSpace at KOASAS: Browsing DSpace

DSpace at KOASAS

Browsing DSpace

Browse "EEW-Journal Papers(저널논문)" by Author Head-Gordon, M

Sort by:
In order:
Results/Page
Authors/Record:

Showing results 1 to 17 of 17

1	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
2	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
3	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
4	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
5	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
6	An orbital-based definition of radical and multiradical character Dutoi, AD; Jung, Yousung; Head-Gordon, M, JOURNAL OF PHYSICAL CHEMISTRY A, v.108, no.46, pp.10270 - 10279, 2004-11
7	Are both symmetric and buckled dimers on Si-(100) minima? Density functional and multireference perturbation theory calculations Jung, Yousung; Shao, YH; Gordon, MS; Doren, DJ; Head-Gordon, M, JOURNAL OF CHEMICAL PHYSICS, v.119, no.20, pp.10917 - 10923, 2003-11
8	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
9	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
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
11	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
12	Fast evaluation of scaled opposite spin second-order Moller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsity Jung, Yousung; Shao, YH; Head-Gordon, M, JOURNAL OF COMPUTATIONAL CHEMISTRY, v.28, no.12, pp.1953 - 1964, 2007-09
13	How diradicaloid is a stable diradical? Jung, Yousung; Head-Gordon, M, CHEMPHYSCHEM, v.4, no.5, pp.522 - 525, 2003-04
14	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
15	Scaled opposite spin second order Moller-Plesset theory with improved physical description of long-range dispersion interactions Lochan, RC; Jung, Yousung; Head-Gordon, M, JOURNAL OF PHYSICAL CHEMISTRY A, v.109, no.33, pp.7598 - 7605, 2005-08
16	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
17	What is the nature of the long bond in the TCNE22- pi-dimer? Jung, Yousung; Head-Gordon, M, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.6, no.9, pp.2008 - 2011, 2004-05

Discover

KOASAS

Knowledge Service Development Team, KAIST 291 Daehak-ro, Yuseong-gu, Daejeon 34141, Republic of Korea. T. 82-42-350-4493 Email. koasas@kaist.ac.kr
Copyright © 2016. Korea Advanced Institute of Science and Technology. All Rights Reserved.

Communities & Collections

rss_1.0 rss_2.0 atom_1.0