Aqueous Mg-Ion Battery Based on Polyimide Anode and Prussian Blue Cathode
Chen, L, Bao, J. L, Dong, X, Truhlar, D. G, Wang, Y, Wang, C, Xia, Y
Published in ACS energy letters (12.05.2017)
Published in ACS energy letters (12.05.2017)
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Journal Article
Solvent-Dependent Transition States for Decarboxylations
Sicinska, Daria, Truhlar, Donald G, Paneth, Piotr
Published in Journal of the American Chemical Society (08.08.2001)
Published in Journal of the American Chemical Society (08.08.2001)
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Journal Article
Prediction of Soil Sorption Coefficients Using a Universal Solvation Model
Winget, Paul, Cramer, Christopher J, Truhlar, Donald G
Published in Environmental science & technology (15.11.2000)
Published in Environmental science & technology (15.11.2000)
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Journal Article
Dynamics of the Simplest Chlorine Atom Reaction: An Experimental and Theoretical Study
Alagia, M., Balucani, N., Cartechini, L., Casavecchia, P., van Kleef, E. H., Volpi, G. G., Aoiz, F. J., Bañares, L., Schwenke, D. W., Allison, T. C., Mielke, S. L., Truhlar, D. G.
Published in Science (American Association for the Advancement of Science) (13.09.1996)
Published in Science (American Association for the Advancement of Science) (13.09.1996)
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Journal Article
From Force Fields to Dynamics: Classical and Quantal Paths
Truhlar, Donald G., Gordon, Mark S.
Published in Science (American Association for the Advancement of Science) (03.08.1990)
Published in Science (American Association for the Advancement of Science) (03.08.1990)
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Journal Article
Computational electrochemistry: aqueous one-electron oxidation potentials for substituted anilines
WINGET, P, WEBER, E. J, CRAMER, C. J, TRUHLAR, D. G
Published in Physical chemistry chemical physics : PCCP (01.01.2000)
Published in Physical chemistry chemical physics : PCCP (01.01.2000)
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Journal Article
Dual-Level Direct Dynamics Calculations of Deuterium and Carbon-13 Kinetic Isotope Effects for the Reaction Cl + CH4
Roberto-Neto, Orlando, Coitiño, Elena L, Truhlar, D. G
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11.06.1998)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11.06.1998)
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Journal Article
General parameterized SCF model for free energies of solvation in aqueous solution
Cramer, Christopher J, Truhlar, Donald G
Published in Journal of the American Chemical Society (01.10.1991)
Published in Journal of the American Chemical Society (01.10.1991)
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Journal Article
Molecular modeling of the kinetic isotope effect for the [1,5]-sigmatropic rearrangement of cis-1,3-pentadiene
Liu, Yi Ping, Lynch, Gillian C, Truong, Thanh N, Lu, Da Hong, Truhlar, Donald G, Garrett, Bruce C
Published in Journal of the American Chemical Society (01.03.1993)
Published in Journal of the American Chemical Society (01.03.1993)
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Journal Article
Class IV charge models: a new semiempirical approach in quantum chemistry
Storer, J W, Giesen, D J, Cramer, C J, Truhlar, D G
Published in Journal of computer-aided molecular design (01.02.1995)
Published in Journal of computer-aided molecular design (01.02.1995)
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Journal Article
Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries
Alecu, I. M, Zheng, Jingjing, Zhao, Yan, Truhlar, Donald G
Published in Journal of chemical theory and computation (14.09.2010)
Published in Journal of chemical theory and computation (14.09.2010)
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Journal Article
Direct dynamics calculation of the kinetic isotope effect for an organic hydrogen-transfer reaction, including corner-cutting tunneling in 21 dimensions
Liu, Yi Ping, Lu, Da Hong, Gonzalez-Lafont, Angels, Truhlar, Donald G, Garrett, Bruce C
Published in Journal of the American Chemical Society (01.08.1993)
Published in Journal of the American Chemical Society (01.08.1993)
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