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Results 1-10 of 141 (Search time: 0.009 seconds).

NO Title, Author(s) (Publication Title, Volume Issue, Page, Issue Date)
1
Local intermolecular interactions for selective CO2 capture by zeolitic imidazole frameworks: energy decomposition analysis

Park, Ji Young; Lee, Yoon Sup; Jung, Yousung, JOURNAL OF NANOPARTICLE RESEARCH, v.14, no.4, 2012-04

2
Rollover Cyclometalation Pathway in Rhodium Catalysis: Dramatic NHC Effects in the C-H Bond Functionalization

Kwak, Jaesung; Ohk, Youhwa; Jung, Yousung; Chang, Sukbok, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.134, no.42, pp.17778 - 17788, 2012-10

3
A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz

Zhang, IY; Xu, X; Jung, Yousung; Goddard, WA, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.108, no.50, pp.19896 - 19900, 2011-12

4
Accelerated Purification Using Generalized Nonpurifying Intermediate Functions for Large-Scale Self-Consistent Field Calculations

Kim, J; Jung, Yousung, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.7, no.12, pp.3853 - 3858, 2011-12

5
Predictions of the sulfur and carbon kinetic isotope effects in the OH plus OCS reaction

Schmidt, J. A.; Johnson, M. S.; Jung, Yousung; Danielache, S. O.; Hattori, S.; Yoshida, N., CHEMICAL PHYSICS LETTERS, v.531, pp.64 - 69, 2012-04

6
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

7
On the absolute thermodynamics of water from computer simulations: A comparison of first-principles molecular dynamics, reactive and empirical force fields

Pascal, Tod A.; Schaerf, Daniel; Jung, Yousung; Kuehne, Thomas D., JOURNAL OF CHEMICAL PHYSICS, v.137, no.24, 2012-12

8
Accurate Ab Initio-Based Force Field for Predictive CO2 Uptake Simulations in MOFs and ZIFs: Development and Applications for MTV-MOFs

Han, Sang Soo; Kim, Daejin; Jung, Dong Hyun; Cho, Sangyeon; Choi, Seung-Hoon; Jung, Yousung, JOURNAL OF PHYSICAL CHEMISTRY C, v.116, no.38, pp.20254 - 20261, 2012-09

9
Electrochemical and Thermal Properties of NASICON Structured Na3V2(PO4)(3) as a Sodium Rechargeable Battery Cathode: A Combined Experimental and Theoretical Study

Lim, Soo Yeon; Kim, Heejin; Shakoor, R. A.; Jung, Yousung; Choi, Jang Wook, JOURNAL OF THE ELECTROCHEMICAL SOCIETY, v.159, no.9, pp.A1393 - A1397, 2012-08

10
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

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