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There are 25110 results for: content related to: Theoretical evaluation of sensitivity and thermal stability for high explosives based on quantum chemistry methods: A brief review

  1. Sensitivity and Performance of Energetic Materials

    Propellants, Explosives, Pyrotechnics

    Volume 41, Issue 3, June 2016, Pages: 426–451, Svatopluk Zeman and Marcela Jungová

    Version of Record online : 18 APR 2016, DOI: 10.1002/prep.201500351

  2. A New Computer Code for Assessment of Energetic Materials with Crystal density, Condensed Phase Enthalpy of Formation, and Activation Energy of Thermolysis

    Propellants, Explosives, Pyrotechnics

    Volume 38, Issue 1, February 2013, Pages: 95–102, Mohammad H. Keshavarz, Hadi Motamedoshariati, Reza Moghayadnia, Majid Ghanbarzadeh and Jamshid Azarniamehraban

    Version of Record online : 20 NOV 2012, DOI: 10.1002/prep.201100156

  3. A New Computer Code for Prediction of Enthalpy of Fusion and Melting Point of Energetic Materials

    Propellants, Explosives, Pyrotechnics

    Volume 40, Issue 1, February 2015, Pages: 150–155, Mohammad Hossein Keshavarz

    Version of Record online : 2 JUN 2014, DOI: 10.1002/prep.201400038

  4. Prediction of Sensitivity of Energetic Compounds with a New Computer Code

    Propellants, Explosives, Pyrotechnics

    Volume 39, Issue 1, February 2014, Pages: 95–101, Mohammad Hossein Keshavarz, Hadi Motamedoshariati, Reza Moghayadnia, Majid Ghanbarzadeh and Jamshid Azarniamehraban

    Version of Record online : 14 FEB 2014, DOI: 10.1002/prep.201300017

  5. A New General Correlation for Predicting Impact Sensitivity of Energetic Compounds

    Propellants, Explosives, Pyrotechnics

    Volume 38, Issue 6, December 2013, Pages: 754–760, Mohammad H. Keshavarz

    Version of Record online : 20 JUN 2013, DOI: 10.1002/prep.201200128

  6. Interaction of TNT and Aluminum – A DFT Treatment

    Zeitschrift für anorganische und allgemeine Chemie

    Volume 641, Issue 2, February 2015, Pages: 408–413, Lemi Türker

    Version of Record online : 28 OCT 2014, DOI: 10.1002/zaac.201400436

  7. Improved Approach to Predict the Power of Energetic Materials

    Propellants, Explosives, Pyrotechnics

    Volume 38, Issue 5, October 2013, Pages: 709–714, Mohammad Hossein Keshavarz and Farhad Seif

    Version of Record online : 15 APR 2013, DOI: 10.1002/prep.201200165

  8. Relationship Between the Low Temperature Thermolysis and Detonation Temperature of Carbocyclic Nitroaromatic Compounds

    Propellants, Explosives, Pyrotechnics

    Volume 34, Issue 5, October 2009, Pages: 415–420, Mohammad Hossein Keshavarz, Hamid Reza Pouretedal, Hossein Sadeghi and Abolfazl Semnani

    Version of Record online : 19 AUG 2009, DOI: 10.1002/prep.200800011

  9. Investigation of the Various Structure Parameters for Predicting Impact Sensitivity of Energetic Molecules via Artificial Neural Network

    Propellants, Explosives, Pyrotechnics

    Volume 31, Issue 3, June 2006, Pages: 216–225, Mohammad Hossein Keshavarz and Mohammad Jaafari

    Version of Record online : 21 JUN 2006, DOI: 10.1002/prep.200600030

  10. Quantum Chemistry Derived Criteria for Impact Sensitivity

    Propellants, Explosives, Pyrotechnics

    Volume 39, Issue 4, August 2014, Pages: 487–495, Zhao-Xu Chen and He-Ming Xiao

    Version of Record online : 25 FEB 2014, DOI: 10.1002/prep.201300123

  11. Prediction of the Strength of Energetic Materials Using the Condensed and Gas Phase Heats of Formation

    Propellants, Explosives, Pyrotechnics

    Volume 40, Issue 4, August 2015, Pages: 551–557, Mohammad Kamalvand, Mohammad Hossein Keshavarz and Mohammad Jafari

    Version of Record online : 30 OCT 2014, DOI: 10.1002/prep.201400139

  12. Multi-expression programming based model for prediction of formation enthalpies of nitro-energetic materials

    Expert Systems

    Volume 30, Issue 1, February 2013, Pages: 66–78, Mehdi Bagheri, Amir Hossein Gandomi, Mehrdad Bagheri and Mohcen Shahbaznezhad

    Version of Record online : 12 JUL 2012, DOI: 10.1111/j.1468-0394.2012.00623.x

  13. Relationship Between the Electrostatic Sensitivity of Nitramines and Their Molecular Structure

    Propellants, Explosives, Pyrotechnics

    Volume 34, Issue 2, April 2009, Pages: 136–141, Mohammad Hossein Keshavarz, Mohammad Hassan Moghadas and Masoud Kavosh Tehrani

    Version of Record online : 12 MAR 2009, DOI: 10.1002/prep.200700264

  14. Predicting Maximum Attainable Detonation Velocity of CHNOF and Aluminized Explosives

    Propellants, Explosives, Pyrotechnics

    Volume 37, Issue 4, August 2012, Pages: 489–497, Mohammad Hossein Keshavarz

    Version of Record online : 4 JUN 2012, DOI: 10.1002/prep.201100097

  15. Remote substituent effects on gas-phase homolytic Fe–O and Fe–S bond energies of p-G-C6H4OFe(CO)2(η5-C5H5) and p-G-C6H4SFe(CO)2(η5-C5H5) studied using Hartree–Fock and density functional theory methods

    Journal of Physical Organic Chemistry

    Volume 26, Issue 8, August 2013, Pages: 664–674, Qing Zeng, Zucheng Li, Ling Dong, Daxiong Han, Rufeng Wang, Xiangri Li and Genben Bai

    Version of Record online : 8 JUL 2013, DOI: 10.1002/poc.3152

  16. Global and local quantitative structure–property relationship models to predict the impact sensitivity of nitro compounds

    Process Safety Progress

    Volume 31, Issue 3, September 2012, Pages: 291–303, Guillaume Fayet, Patricia Rotureau, Vinca Prana and Carlo Adamo

    Version of Record online : 5 JUN 2012, DOI: 10.1002/prs.11499

  17. Full geometry optimizations of the mixed-valence CaMn4O4X(H2O)4 (X=OH or O) cluster in OEC of PS II: Degree of symmetry breaking of the labile Mn-X-Mn bond revealed by several hybrid DFT calculations

    International Journal of Quantum Chemistry

    Volume 113, Issue 4, 15 February 2013, Pages: 525–541, K. Yamaguchi, H. Isobe, S. Yamanaka, T. Saito, K. Kanda, M. Shoji, Y. Umena, K. Kawakami, J.-R. Shen, N. Kamiya and M. Okumura

    Version of Record online : 13 APR 2012, DOI: 10.1002/qua.24117

  18. The nature of chemical bonds of the CaMn4O5 cluster in oxygen evolving complex of photosystem II: Jahn-Teller distortion and its suppression by Ca doping in cubane structures

    International Journal of Quantum Chemistry

    Volume 113, Issue 4, 15 February 2013, Pages: 453–473, K. Yamaguchi, S. Yamanaka, H. Isobe, T. Saito, K. Kanda, Y. Umena, K. Kawakami, J.-R. Shen, N. Kamiya, M. Okumura, H. Nakamura, M. Shoji and Y. Yoshioka

    Version of Record online : 17 JUL 2012, DOI: 10.1002/qua.24280

  19. Estimating Heats of Detonation and Detonation Velocities of Aromatic Energetic Compounds

    Propellants, Explosives, Pyrotechnics

    Volume 33, Issue 6, December 2008, Pages: 448–453, Mohammad Hossein Keshavarz

    Version of Record online : 27 OCT 2008, DOI: 10.1002/prep.200800226

  20. Relation between Electric Spark Sensitivity and Impact Sensitivity of Nitroaromatic Energetic Compounds

    Zeitschrift für anorganische und allgemeine Chemie

    Volume 642, Issue 4, February 2016, Pages: 335–342, Mohammad Hossein Keshavarz and Zahra Keshavarz

    Version of Record online : 10 FEB 2016, DOI: 10.1002/zaac.201600015