Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries von Alecu, I. M, Zheng, Jingjing, Zhao, Yan, Truhlar, Donald G

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How Well Can Modern Density Functionals Predict Internuclear Distances at Transition States? von Xu, Xuefei, Alecu, I. M, Truhlar, Donald G

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Computational Study of the Reactions of Methanol with the Hydroperoxyl and Methyl Radicals. 1. Accurate Thermochemistry and Barrier Heights von Alecu, I. M, Truhlar, Donald G

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Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: The internal-coordinate multi-structural approximation von JINGJING ZHENG, TAO YU, PAPAJAK, Ewa, ALECU, I. M, MIELKE, Steven L, TRUHLAR, Donald G

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Computational Study of the Reactions of Methanol with the Hydroperoxyl and Methyl Radicals. 2. Accurate Thermal Rate Constants von Alecu, I. M, Truhlar, Donald G

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Biofuel Combustion. Energetics and Kinetics of Hydrogen Abstraction from Carbon‑1 in n‑Butanol by the Hydroperoxyl Radical Calculated by Coupled Cluster and Density Functional Theo... von Alecu, I. M, Zheng, Jingjing, Papajak, Ewa, Yu, Tao, Truhlar, Donald G

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Experimental and computational studies of the kinetics of the reaction of hydrogen peroxide with the amidogen radical von Alecu, I. M., Gao, Yide, Marshall, Paul

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Dehydration of Isobutanol and the Elimination of Water from Fuel Alcohols von Rosado-Reyes, Claudette M, Tsang, Wing, Alecu, Ionut M, Merchant, Shamel S, Green, William H

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Computational Study of the Thermochemistry of N2O5 and the Kinetics of the Reaction N2O5 + H2O → 2 HNO3 von Alecu, I. M, Marshall, Paul

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New Pathways for Formation of Acids and Carbonyl Products in Low-Temperature Oxidation: The Korcek Decomposition of γ‑Ketohydroperoxides von Jalan, Amrit, Alecu, Ionut M, Meana-Pañeda, Rubén, Aguilera-Iparraguirre, Jorge, Yang, Ke R, Merchant, Shamel S, Truhlar, Donald G, Green, William H

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Correction to "Computational Study of the Thermochemistry of N 2 O 5 and the Kinetics of the Reaction N 2 O 5 + H 2 O → 2 HNO 3 " von Alecu, I M, Marshall, Paul

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Correction to “Computational Study of the Thermochemistry of N2O5 and the Kinetics of the Reaction N2O5 + H2O → 2 HNO3” von Alecu, I. M, Marshall, Paul

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381. Recurrence rates after radical hysterectomy with pelvic lymphadenectomy von Ionescu, S, Bratucu, E, Straja, N.D, Simion, L, Marincas, M, Prunoiu, V, Chitoran, E, Rotaru, V, Alecu, M, Lazar, A.M

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A study to establish reasonable action limits for patient‐specific quality assurance in intensity‐modulated radiation therapy von Both, Stefan, Alecu, Ionut M., Stan, Andrada R., Alecu, Marius, Ciura, Andrei, Hansen, Jeremy M., Alecu, Rodica

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Computational thermochemistry: Automated generation of scale factors for vibrational frequencies calculated by electronic structure model chemistries von Yu, Haoyu S., Fiedler, Lucas J., Alecu, I.M., Truhlar, Donald G.

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272. Immunohistochemistry as a measurement tool for various aspects of the tumour response to radiotherapy in rectal cancer von Ionescu, S, Bratucu, E, Straja, D.N, Simion, L, Alecu, M, Prunoiu, V, Marincas, M, Cirimbei, C, Zurac, S, Staniceanu, F

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Thermochemistry Is Not a Lower Bound to the Activation Energy of Endothermic Reactions:  A Kinetic Study of the Gas-Phase Reaction of Atomic Chlorine with Ammonia von Gao, Yide, Alecu, I. M, Hsieh, P-C, Morgan, Brad P, Marshall, Paul, Krasnoperov, Lev N

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Experimental and Computational Studies of the Kinetics of the Reaction of Atomic Hydrogen with Methanethiol von Kerr, Katherine E, Alecu, Ionut M, Thompson, Kristopher M, Gao, Yide, Marshall, Paul

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Studies of the Kinetics and Thermochemistry of the Forward and Reverse Reaction Cl + C6H6 = HCl + C6H5 von Alecu, I. M, Gao, Yide, Hsieh, P-C, Sand, Jordan P, Ors, Ahmet, McLeod, A, Marshall, Paul

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A combined photoionization time-of-flight mass spectrometry and laser absorption spectrometry flash photolysis apparatus for simultaneous determination of reaction rates and produc... von Middaugh, Joshua E., Buras, Zachary J., Matrat, Mickael, Chu, Te-Chun, Kim, Young-Seok, Alecu, Ionut M., Vasiliou, AnGayle K., Goldsmith, C. Franklin, Green, William H.

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