Kamu erişimi zorunlu olan makaleler - James KubickiDaha fazla bilgi edinin
Hiçbir yerde sunulmuyor: 13
Effect of ions on H-bond structure and dynamics at the quartz (101)–water interface
MJ DelloStritto, JD Kubicki, JO Sofo
Langmuir 32 (44), 11353-11365, 2016
Zorunlu olanlar: US Department of Energy
An evaluation of the structures of cellulose generated by the CHARMM force field: comparisons to in planta cellulose
DP Oehme, H Yang, JD Kubicki
Cellulose 25, 3755-3777, 2018
Zorunlu olanlar: US Department of Energy, Australian Research Council
How Cellulose Elongates A QM/MM Study of the Molecular Mechanism of Cellulose Polymerization in Bacterial CESA
H Yang, J Zimmer, YG Yingling, JD Kubicki
The Journal of Physical Chemistry B 119 (22), 6525-6535, 2015
Zorunlu olanlar: US Department of Energy
Competitive adsorption of acetic acid and water on kaolinite
VJ Alstadt, JD Kubicki, MA Freedman
The Journal of Physical Chemistry A 120 (42), 8339-8346, 2016
Zorunlu olanlar: US National Science Foundation
In silico structure prediction of full-length cotton cellulose synthase protein (GhCESA1) and its hierarchical complexes
A Singh, AL Kwansa, HS Kim, JT Williams, H Yang, NK Li, JD Kubicki, ...
Cellulose 27, 5597-5616, 2020
Zorunlu olanlar: US Department of Energy
Equilibrium and kinetic isotopic fractionation in the CO2 hydration and hydroxylation reactions: Analysis of the role of hydrogen-bonding via quantum mechanical calculations
JD Boettger, JD Kubicki
Geochimica et Cosmochimica Acta 292, 37-63, 2021
Zorunlu olanlar: US National Aeronautics and Space Administration
Adsorption of organic acids and phosphate to an iron (oxyhydr) oxide mineral: a combined experimental and density functional theory study
T Ohno, JD Kubicki
The Journal of Physical Chemistry A 124 (16), 3249-3260, 2020
Zorunlu olanlar: US Department of Agriculture
Gibbsite (100) and kaolinite (100) sorption of cadmium (II): A density functional theory and XANES study of structures and energies
HD Watts, PA O’Day, JD Kubicki
The Journal of Physical Chemistry A 123 (29), 6319-6333, 2019
Zorunlu olanlar: US National Science Foundation, US Department of Energy
Connecting Thermodynamics of Alkali Ion Exchange on the Quartz (101) Surface with Density Functional Theory Calculations
HD Watts, JD Kubicki, N Kabengi
The Journal of Physical Chemistry A 126 (26), 4286-4294, 2022
Zorunlu olanlar: US Department of Energy
Evaluating Computational Chemistry Methods for Isotopic Fractionation between CO2(g) and H2O(g)
JD Boettger, JD Kubicki
Journal of Chemical Information and Modeling 59 (11), 4663-4677, 2019
Zorunlu olanlar: US National Aeronautics and Space Administration
Zn2+, Co2+, and Ni2+ Adsorption at the Rutile–Water Interface to 250 °C
ML Machesky, JD Kubicki, DA Palmer, DJ Wesolowski
ACS Earth and Space Chemistry 7 (9), 1781-1790, 2023
Zorunlu olanlar: US Department of Energy
Density Functional Theory Predictions of Noncovalent Hydrogen Isotope Effects during Octane Sorption to a Kaolinite Surface
AC Fox, JD Boettger, JD Kubicki, KH Freeman
ACS Earth and Space Chemistry 4 (10), 1756-1764, 2020
Zorunlu olanlar: US National Aeronautics and Space Administration
Position-Specific 2H/H Equilibrium Isotopic Fractionation Factors in Alkane, Alkene, and Aromatic Molecules: A Density Functional Theory Approach
HD Watts, JD Kubicki, N Pedentchouk, KH Freeman
ACS Earth and Space Chemistry 8 (1), 21-35, 2024
Zorunlu olanlar: US Department of Energy, US National Aeronautics and Space Administration
Bir yerde sunuluyor: 42
Hydrogen-bonding network and OH stretch vibration of cellulose: comparison of computational modeling with polarized IR and SFG spectra
CM Lee, JD Kubicki, B Fan, L Zhong, MC Jarvis, SH Kim
The Journal of Physical Chemistry B 119 (49), 15138-15149, 2015
Zorunlu olanlar: US Department of Energy, UK Biotechnology and Biological Sciences Research …
Probing cellulose structures with vibrational spectroscopy
M Makarem, CM Lee, K Kafle, S Huang, I Chae, H Yang, JD Kubicki, ...
Cellulose 26, 35-79, 2019
Zorunlu olanlar: US Department of Energy, US Department of Defense
Tertiary model of a plant cellulose synthase
L Sethaphong, CH Haigler, JD Kubicki, J Zimmer, D Bonetta, S DeBolt, ...
Proceedings of the National Academy of Sciences 110 (18), 7512-7517, 2013
Zorunlu olanlar: US National Institutes of Health
Development of a ReaxFF reactive force field for titanium dioxide/water systems
SY Kim, N Kumar, P Persson, J Sofo, ACT Van Duin, JD Kubicki
Langmuir 29 (25), 7838-7846, 2013
Zorunlu olanlar: Swedish Research Council
The shape of native plant cellulose microfibrils
JD Kubicki, H Yang, D Sawada, H O’Neill, D Oehme, D Cosgrove
Scientific reports 8 (1), 13983, 2018
Zorunlu olanlar: US Department of Energy
Cellulose structural polymorphism in plant primary cell walls investigated by high-field 2D solid-state NMR spectroscopy and density functional theory calculations
T Wang, H Yang, JD Kubicki, M Hong
Biomacromolecules 17 (6), 2210-2222, 2016
Zorunlu olanlar: US Department of Energy, US National Institutes of Health
X-ray absorption spectroscopic quantification and speciation modeling of sulfate adsorption on ferrihydrite surfaces
C Gu, Z Wang, JD Kubicki, X Wang, M Zhu
Environmental science & technology 50 (15), 8067-8076, 2016
Zorunlu olanlar: US Department of Energy
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