Molecular modeling of the kinetic isotope effect for the [1,5]-sigmatropic rearrangement of cis-1,3-pentadiene von Liu, Yi Ping, Lynch, Gillian C, Truong, Thanh N, Lu, Da Hong, Truhlar, Donald G, Garrett, Bruce C

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POLYRATE 4: A new version of a computer program for the calculation of chemical reaction rates for polyatomics von Lu, Da-hong, Truong, Thanh N., Melissas, Vasilios S., Lynch, Gillian C., Liu, Yi-Ping, Garrett, Bruce C., Steckler, Rozeanne, Isaacson, Alan D., Rai, Sachchida N., Hancock, Gene C., Lauderdale, J.G., Joseph, Tomi, Truhlar, Donald G.

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POLYRATE 6.5: A new version of a computer program for the calculation of chemical reaction rates for polyatomics von Steckler, Rozeanne, Hu, Wei-Ping, Liu, Yi-Ping, Lynch, Gillian C., Garrett, Bruce C., Isaacson, Alan D., Melissas, Vasilios S., Lu, Da-hong, Truong, Thanh N., Rai, Sachchida N., Hancock, Gene C., Lauderdale, J.G., Joseph, Tomi, Truhlar, Donald G.

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A more accurate potential energy surface and quantum mechanical cross section calculations for the F+H2 reaction von MIELKE, S. L, LYNCH, G. C, TRUHLAR, D. G, SCHWENKE, D. W

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Primary squamous cell carcinoma of the rectum: An update and implications for treatment von Guerra, Glen R, Kong, Cherng H, Warrier, Satish K, Lynch, Andrew C, Heriot, Alexander G, Ngan, Samuel Y

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Use of scaled external correlation, a double many-body expansion, and variational transition state theory to calibrate a potential energy surface for FH2 von Lynch, Gillian C., Steckler, Rozeanne, Varandas, Antonio J. C., Truhlar, Donald G., Schwenke, David W.

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ABCRATE: A program for the calculation of atom-diatom reaction rates von Garrett, Bruce C., Lynch, Gillian C., Allison, Thomas C., Truhlar, Donald G.

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The nature and role of quantized transition states in the accurate quantum dynamics of the reaction O+H2→OH+H von CHATFIELD, D. C, FRIEDMAN, R. S, LYNCH, G. C, TRUHLAR, D. G, SCHWENKE, D. W

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A separable rotation approximation for the calculation of chemical reaction rates von Mielke, Steven L., Lynch, Gillian C., Truhlar, Donald G., Schwenke, David W.

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USE OF AN IMPROVED ION-SOLVENT POTENTIAL-ENERGY FUNCTION TO CALCULATE THE REACTION-RATE AND ALPHA-DEUTERIUM AND MICROSOLVATION KINETIC ISOTOPE EFFECTS FOR THE GAS-PHASE SN2 REACTIO... von ZHAO, XG, LU, DH, LIU, YP, LYNCH, GC, TRUHLAR, DG

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Global potential-energy surfaces for H2Cl von SCHWENKE, D. W, TUCKER, S. C, STECKLER, R, BROWN, F. B, LYNCH, G. C, TRUHLAR, D. G, GARRETT, B. C

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Test of the accuracy of small-curvature and minimum-energy reference paths for parametrizing the search for least-action tunneling paths: (H,D)+H'Br→(H,D)Br+H' von LYNCH, G. C, TRUHLAR, D. G, GARRETT, B. C

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Intramolecular energy transfer and cis-trans isomerization in HONO von YUHUA GUAN, LYNCH, G. C, THOMPSON, D. L

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A New Potential Energy Surface for H2Br and Its Use To Calculate Branching Ratios and Kinetic Isotope Effects for the H + HBr Reaction von Lynch, Gillian C, Truhlar, Donald G, Brown, Franklin B, Zhao, Jian-guo

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MORATE 6.5: A new version of a computer program for direct dynamics calculations of chemical reaction rate constants von Hu, Wei-Ping, Lynch, Gillian C., Liu, Yi-Ping, Rossi, Ivan, Stewart, James J.P., Steckler, Rozeanne, Garrett, Bruce C., Isaacson, Alan D., Lu, Da-hong, Melissas, Vasilios S., Truhlar, Donald G.

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POTLIB 2001: A potential energy surface library for chemical systems von Duchovic, Ronald J, Volobuev, Yuri L, Lynch, Gillian C, Truhlar, Donald G, Allison, Thomas C, Wagner, Albert F, Garrett, Bruce C, Corchado, Jose C

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Primary squamous cell carcinoma of the rectum: An update and implications for treatment von Glen R Guerra Cherng H Kong Satish K Warrier Andrew C Lynch Alexander G Heriot Samuel Y Ngan

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Grand canonical ensemble molecular dynamics simulations: Reformulation of extended system dynamics approaches von Lynch, Gillian C., Pettitt, B. Montgomery

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An improved blood pressure apparatus von LYNCH, C G

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Improved methods for semiempirical solvation models von Liotard, Daniel A., Hawkins, Gregory D., Lynch, Gillian C., Cramer, Christopher J., Truhlar, Donald G.

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