Number of items: 21.
2008
Jang, Yun Hee and Goddard, William A., III
(2008)
Electron Transport through Cyclic Disulfide Molecular Junctions with Two Different Adsorption States at the Contact: A Density Functional Theory Study.
Journal of Physical Chemistry C, 112
(23).
pp. 8715-8720.
ISSN 1932-7447.
https://resolver.caltech.edu/CaltechAUTHORS:20170719-065010179
2007
Jang, Yun Hee
and
Blanco, Mario
and
Creek, Jefferson
et al.
(2007)
Wax Inhibition by Comb-like Polymers: Support of the Incorporation−Perturbation Mechanism from Molecular Dynamics Simulations.
Journal of Physical Chemistry B, 111
(46).
pp. 13173-13179.
ISSN 1520-6106.
https://resolver.caltech.edu/CaltechAUTHORS:20170614-092802611
2006
Goddard, William A., III
and
van Duin, Adri
and
Chenoweth, Kimberly
et al.
(2006)
Development of the ReaxFF reactive force field for mechanistic studies of catalytic selective oxidation processes on BiMoO_x.
Topics in Catalysis, 38
(1-3).
pp. 93-103.
ISSN 1022-5528.
https://resolver.caltech.edu/CaltechAUTHORS:20110601-142550273
Jang, Yun Hee and Goddard, William A., III
(2006)
Mechanism of Oxidative Shuttling for [2]Rotaxane in a Stoddart−Heath Molecular Switch: Density Functional Theory Study with Continuum-Solvation Model.
Journal of Physical Chemistry B, 110
(15).
pp. 7660-7665.
ISSN 1520-6106.
https://resolver.caltech.edu/CaltechAUTHORS:20170606-101751463
Goddard, William A., III
and
Merinov, Boris
and
van Duin, A.
et al.
(2006)
Multi-paradigm multi-scale simulations for fuel cell catalysts and membranes.
Molecular Simulation, 32
(3-4).
pp. 251-268.
ISSN 0892-7022.
https://resolver.caltech.edu/CaltechAUTHORS:20110427-081423662
2005
Jang, Seung Soon
and
Jang, Yun Hee
and
Kim, Yong-Hoon
et al.
(2005)
Molecular Dynamics Simulation of Amphiphilic Bistable [2]Rotaxane Langmuir Monolayers at the Air/Water Interface.
Journal of the American Chemical Society, 127
(42).
pp. 14804-14816.
ISSN 0002-7863.
https://resolver.caltech.edu/CaltechAUTHORS:20170516-102144211
Chisholm, Calum R. I.
and
Jang, Yun Hee
and
Haile, Sossina M.
et al.
(2005)
Superprotonic phase transition of CsHSO4: A molecular dynamics simulation study.
Physical Review B, 72
(13).
Art. No. 134103.
ISSN 1098-0121.
https://resolver.caltech.edu/CaltechAUTHORS:CHIprb05
Kim, Yong-Hoon
and
Jang, Seung Soon
and
Jang, Yun Hee
et al.
(2005)
First-principles study of the switching mechanism of [2]catenane molecular electronic devices.
Physical Review Letters, 94
(15).
Art. No. 156801.
ISSN 0031-9007.
https://resolver.caltech.edu/CaltechAUTHORS:KIMprl05
Jang, Yun Hee and Jang, Seung Soon and Goddard, William A., III
(2005)
Molecular Dynamics Simulation Study on a Monolayer of Half [2]Rotaxane Self-Assembled on Au(111).
Journal of the American Chemical Society, 127
(13).
pp. 4959-4964.
ISSN 0002-7863.
https://resolver.caltech.edu/CaltechAUTHORS:20170420-110832847
Jang, Seung Soon
and
Jang, Yun Hee
and
Kim, Yong-Hoon
et al.
(2005)
Structures and Properties of Self-Assembled Monolayers of Bistable [2]Rotaxanes on Au (111) Surfaces from Molecular Dynamics Simulations Validated with Experiment.
Journal of the American Chemical Society, 127
(5).
pp. 1563-1575.
ISSN 0002-7863.
https://resolver.caltech.edu/CaltechAUTHORS:20170420-084322252
2004
Jang, Yun Hee
and
Hwang, Sungu
and
Kim, Yong-Hoon
et al.
(2004)
Density Functional Theory Studies of the [2]Rotaxane Component of the Stoddart−Heath Molecular Switch.
Journal of the American Chemical Society, 126
(39).
pp. 12636-12645.
ISSN 0002-7863.
https://resolver.caltech.edu/CaltechAUTHORS:20170516-072218354
2003
Noyes Rogstad, Katherine
and
Jang, Yun Hee
and
Sowers, Lawrence C.
et al.
(2003)
First Principles Calculations of the pK_a Values and Tautomers of Isoguanine and Xanthine.
Chemical Research in Toxicology, 16
(11).
pp. 1455-1462.
ISSN 0893-228X.
https://resolver.caltech.edu/CaltechAUTHORS:20170808-100937143
Jang, Yun Hee
and
Goddard, William A., III
and
Noyes, Katherine T.
et al.
(2003)
pK_a Values of Guanine in Water: Density Functional Theory Calculations Combined with Poisson−Boltzmann Continuum−Solvation Model.
Journal of Physical Chemistry B, 107
(1).
pp. 344-357.
ISSN 1520-6106.
https://resolver.caltech.edu/CaltechAUTHORS:20170519-142727313
2002
Jang, Yun Hee
and
Chang, Xiao Yan
and
Blanco, Mario
et al.
(2002)
The MSXX Force Field for the Barium Sulfate−Water Interface.
Journal of Physical Chemistry B, 106
(38).
pp. 9951-9966.
ISSN 1520-6106.
https://resolver.caltech.edu/CaltechAUTHORS:20170616-151209845
Jang, Yun Hee
and
Goddard, William A., III
and
Noyes, Katherine T
et al.
(2002)
First Principles Calculations of the Tautomers and pK_a Values of 8-Oxoguanine: Implications for Mutagenicity and Repair.
Chemical Research in Toxicology, 15
(8).
pp. 1023-1035.
ISSN 0893-228X.
https://resolver.caltech.edu/CaltechAUTHORS:20170409-074336222
Jang, Yun Hee and Goddard, William A., III
(2002)
Mechanism of Selective Oxidation and Ammoxidation of Propene on Bismuth Molybdates from DFT Calculations on Model Clusters.
Journal of Physical Chemistry B, 106
(23).
pp. 5997-6013.
ISSN 1520-6106.
https://resolver.caltech.edu/CaltechAUTHORS:20170619-065026061
2001
Keire, David A.
and
Jang, Yun Hee
and
Li, Lin
et al.
(2001)
Chelators for Radioimmunotherapy: I. NMR and Ab Initio Calculation Studies on 1,4,7,10-Tetra(carboxyethyl)-1,4,7,10-tetraazacyclododecane (DO4Pr) and 1,4,7-Tris(carboxymethyl)-10-(carboxyethyl)-1,4,7,10-tetraazacyclododecane (DO3A1Pr).
Inorganic Chemistry, 40
(17).
pp. 4310-4318.
ISSN 0020-1669.
https://resolver.caltech.edu/CaltechAUTHORS:20170424-145553079
Jang, Yun Hee and Goddard, William A., III
(2001)
Selective oxidation and ammoxidation of propene on bismuth molybdates, ab initio calculations.
Topics in Catalysis, 15
(2).
pp. 273-289.
ISSN 1022-5528.
https://resolver.caltech.edu/CaltechAUTHORS:20170408-150859177
Jang, Yun Hee
and
Sowers, Lawrence C.
and
Çağin, Tahir
et al.
(2001)
First Principles Calculation of pK_a Values for 5-Substituted Uracils.
Journal of Physical Chemistry A, 105
(1).
pp. 274-280.
ISSN 1089-5639.
https://resolver.caltech.edu/CaltechAUTHORS:20170720-070311835
2000
La Francois, Christopher J.
and
Jang, Yun Hee
and
Çağin, Tahir
et al.
(2000)
Conformation and Proton Configuration of Pyrimidine Deoxynucleoside Oxidation Damage Products in Water.
Chemical Research in Toxicology, 13
(6).
pp. 462-470.
ISSN 0893-228X.
https://resolver.caltech.edu/CaltechAUTHORS:20170808-103601650
Hwang, Sungu
and
Lee, Kwan Hee
and
Ryu, Gean Ha
et al.
(2000)
Relative Binding Affinities of Alkali Metal Cations to [18]Starand in Methanol: Computational and Experimental Studies.
Journal of Organic Chemistry, 65
(2).
pp. 536-542.
ISSN 0022-3263.
https://resolver.caltech.edu/CaltechAUTHORS:20170427-093910923
This list was generated on Sun Jan 24 12:22:03 2021 PST.