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Showing results 1 to 18 of 18

1
Absolute Entropy and Energy of Carbon Dioxide Using the Two-Phase Thermodynamic Model

Huang, Shao-Nung; Pascal, Tod A.; Goddard, William A.; Maiti, Prabal K.; Lin, Shiang-Tai, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.7, no.6, pp.1893 - 1901, 2011-06

2
An extended dynamical hydration shell around proteins

Ebbinghaus, Simon; Kim, Seung Joong; Heyden, Matthias; Yu, Xin; Heugen, Udo; Gruebele, Martin; Leitner, David M.; et al, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.104, no.52, pp.20749 - 20752, 2007-12

3
CALCULATION OF EXCESS FREE-ENERGY FROM THE AVERAGED EFFECTIVE ACCEPTANCE RATIO IN MONTE-CARLO SIMULATION FOR ARGON, NITROGEN AND WATER

HONG, SD; YOON, BJ; Jhon, Mu-Shik, CHEMICAL PHYSICS LETTERS, v.188, no.3-4, pp.299 - 302, 1992-01

4
Characteristics of a free-falling single-droplet of water-in-oil emulsion broken up by a pulse laser

Jang, Gyu Min; Kim, Nam Il, FUEL, v.264, 2020-03

5
Common features of orientational order at the temperature of maximum density for various water models: Molecular dynamics study

Jhon, Young In; No, Kyoung Tai; Jhon, Mu Shik, JOURNAL OF PHYSICAL CHEMISTRY B, v.111, no.33, pp.9897 - 9899, 2007-08

6
Entropy and the driving force for the filling of carbon nanotubes with water

Pascal, TA; Goddard, William A.; Jung, Yousung, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.108, no.29, pp.11794 - 11798, 2011-07

7
Evaluation of B3LYP, X3LYP, and M06-Class Density Functionals for Predicting the Binding Energies of Neutral, Protonated, and Deprotonated Water Clusters

Bryantsev, VS; Diallo, Mamadou S; van Duin, ACT; Goddard, WA, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.5, no.4, pp.1016 - 1026, 2009-04

8
Hydrophobic Segregation, Phase Transitions and the Anomalous Thermodynamics of Water/Methanol Mixtures

Pascal, Tod A.; Goddard, William A., III, JOURNAL OF PHYSICAL CHEMISTRY B, v.116, no.47, pp.13905 - 13912, 2012-11

9
Interaction between bound water molecules and local protein structures: A statistical analysis of the hydrogen bond structures around bound water molecules

Hong, Seungpyo; Kim, Dongsup, PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, v.84, no.1, pp.43 - 51, 2016-01

10
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

11
Specific Ions Modulate Diffusion Dynamics of Hydration Water on Lipid Membrane Surfaces

Song, Jinsuk; Franck, John; Pincus, Philip; Kim, Mahn-Won; Han, Songi, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.136, no.6, pp.2642 - 2649, 2014-02

12
Stability of Positively Charged Solutes in Water: A Transition from Hydrophobic to Hydrophilic

Pascal, TA; Lin,; Goddard, William A.; Jung, Yousung, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.3, no.3, pp.294 - 298, 2012-02

13
Stability of the Pentagon Structure of Water Cluster

B. J. Yoon; Mu-Shik Jhon, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.12, no.1, pp.67 - 70, 1991

14
Stochastic nature of carbon dioxide hydrate induction times in Na-montmorillonite and marine sediment suspensions

Lee, Kyoungjin; Lee, Seung-Hwan; Lee, Woojin, INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL, v.14, pp.15 - 24, 2013-05

15
The Structural Variation and Probability Redistribution in Alanine Dipeptide Conformers by the Hydration

C. H. Yang; J. K. Shin; Mu-Shik Jhon, JOURNAL OF MOLECULAR STRUCTURE, v.268, no.1-3, pp.169 - 179, 1992

16
The terahertz dance of water with the proteins: the effect of protein flexibility on the dynamical hydration shell of ubiquitin

Born, Benjamin; Kim, Seung Joong; Ebbinghaus, Sinion; Gruebele, Martin; Havenith, Martina, FARADAY DISCUSSIONS, v.141, pp.161 - 173, 2009-01

17
Understanding the Mechanisms of CO2 Adsorption Enhancement in Pure Silica Zeolites under Humid Conditions

Jeong, WooSeok; Kim, Jihan, JOURNAL OF PHYSICAL CHEMISTRY C, v.120, no.41, pp.23500 - 23510, 2016-10

18
Visualization of flooding in a single cell and stacks by using a newly-designed transparent PEMFC

Lee, Dong-Ryul; Bae, Joong-Myeon, INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, v.37, no.1, pp.422 - 435, 2012-01

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