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Showing results 1 to 6 of 6

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
Benchmarking several van der Waals dispersion approaches for the description of intermolecular interactions

Claudot, Julien; Kim, Won June; Dixit, Anant; Kim, Hyungjun; Gould, Tim; Rocca, Dario; Lebegue, Sebastien, JOURNAL OF CHEMICAL PHYSICS, v.148, no.6, 2018-02

3
Enthalpy-Entropy Interplay in pi-Stacking Interaction of Benzene Dimer in Water

Lee, Hankyul; Dehez, Francois; Chipot, Christophe; Lim, Hyung-Kyu; Kim, Hyungjun, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.15, no.3, pp.1538 - 1545, 2019-03

4
Hydrogen storage in LiAlH4: Predictions of the crystal structures and reaction mechanisms of intermediate phases from quantum mechanics

Kang, Jeung Ku; Lee, JY; Muller, RP; Goddard, WA, JOURNAL OF CHEMICAL PHYSICS, v.121, no.21, pp.10623 - 10633, 2004-12

5
Two-dimensional limit of exchange-correlation energy functional approximations

Kim, Yong-Hoon; Lee, IH; Nagaraja, S; Leburton, JP; Hood, RQ; Martin, RM, PHYSICAL REVIEW B, v.61, no.8, pp.5202 - 5211, 2000-02

6
Universal Correction of Density Functional Theory to Include London Dispersion (up to Lr, Element 103)

Kim, Hyungjun; Choi, Jeong-Mo; Goddard, William A., III, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.3, no.3, pp.360 - 363, 2012-02

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