Initial Mechanisms for the Unimolecular Thermal Decomposition of 2,6-Diamino-3,5-dinitropyrazine-1-oxide

Initial Mechanisms for the Unimolecular Thermal Decomposition of 2,6-Diamino-3,5-dinitropyrazine-1-oxide

The initial channels of thermal decomposition mechanism of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) molecule were investigated. The results of quantum chemical calculations revealed four candidates involved in the reaction pathway, including the C–NO2 bond homolysis, nitro&nda...

Full description

Bibliographic Details
Main Authors:	Nianshou Cheng, Qiang Gan, Qian Yu, Xuemei Zhang, Rong Li, Shichuan Qian, Changgen Feng
Format:	Article
Language:	English
Published:	MDPI AG 2018-12-01
Series:	Molecules
Subjects:	LLM-105 initial channels thermal decomposition mechanism quantum chemical calculations
Online Access:	http://www.mdpi.com/1420-3049/24/1/125

Similar Items

Tuning the Crystal Habits of Organic Explosives by Antisolvent Crystallization: The Case Study of 2,6-dimaino-3,5-dinitropyrazine-1-oxid (LLM-105)
by: Xiaoqing Zhou, et al.
Published: (2019-07-01)

An Electrospun Preparation of the NC/GAP/Nano-LLM-105 Nanofiber and Its Properties
by: Tingting Luo, et al.
Published: (2019-06-01)

Scale-up synthesis and characterization of 2,6-diamino-3,5-dinitropyrazine-1-oxide
by: Hai-bin Wang, et al.
Published: (2014-12-01)

Decomposition Mechanisms and Kinetics of Novel Energetic Molecules BNFF-1 and ANFF-1: Quantum-Chemical Modeling
by: Maija M. Kuklja, et al.
Published: (2013-07-01)

Interactions that know no boundaries
by: Michael E. Wall
Published: (2018-03-01)

Mild and moderate Mannose Binding Lectin deficiency are associated with systemic lupus erythematosus and lupus nephritis in Brazilian patients
by: Sandro Félix Perazzio, et al.
Published: (2016-06-01)

B-GATA transcription factors – insights into their structure, regulation, and role in plant development
by: Carina Behringer, et al.
Published: (2015-02-01)

Common and Special Knowledge-Driven TSK Fuzzy System and Its Modeling and Application for Epileptic EEG Signals Recognition
by: Yuanpeng Zhang, et al.
Published: (2019-01-01)

THE CALCULATION OF MULTICOMPONENT ROD SYSTEMS BY DECOMPOSITION METHOD
by: O. S. Raspopov
Published: (2008-12-01)

Productivity, Cost and Environmental Damage of Four Logging Methods in Forestry of Northern Iran
by: Badraghi, Naghimeh
Published: (2014)

MÉTODOS CUANTITATIVOS PARA LOS NEGOCIOS
by: ROSALES HUAMANI, et al.
Published: (2019)

Contact mechanics for coated systems
by: Ma, Lifeng
Published: (2004)

The changes of the Reformation period in Durham and Northumberland
by: Wilson, Barbara Nowelle
Published: (1939)

The effects of dietary polyphenols on vascular endothelial cell proliferation and gene expression
by: Nicholson, Sonja Kim
Published: (2008)

The effects of flavonoids-rich foods on cardiovascular health
by: Tabatabaee, Setareh
Published: (2012)

The finances of James VI, 1567-1603
by: Brydon, R. S.
Published: (1925)

The Thai-based 'Burma movement' : understanding underlying divisions
by: Green, Pamela Catherine
Published: (2014)

Sunday observance in Scotland, 1560-1606
by: Carter, John K.
Published: (1957)

Musicians of the Scottish Reformation, with special reference to Crown Policy c.1560-c.1650
by: McQuaid, J.
Published: (1949)

Narratives of exchange in early modern London, 1580-1600
by: Tomlin, Rebecca Catherine
Published: (2016)

Substituent effects on the unimolecular decompostion of 10-diazoanthrones /
by: Utz, Christopher G.
Published: (1985)

Identification of Enterovirus C105 for the first time in New Zealand
by: Angela Todd, et al.
Published: (2015-02-01)

STL on Limited Local Memory (LLM) Multi-core Processors
Published: (2012)

Chapter Extracting Information from Construction Safety Requirements Using Large Language Model
Published: (2023)

Papel da Endoglina/CD105 em leucemias agudas: um potencial alvo para intervenção terapêutica
by: Dourado, Keina Maciiele Campos
Published: (2017)

Liberdade sindical no Brasil e projeto da OIT : diálogos e estratégias possíveis
by: Nicoladeli, Sandro Lunard
Published: (2017)

Dinámica de reacciones unimoleculares en fase gas: Desviaciones del comportamiento estadístico Dynamics of unimolecular reactions in gas phase: deviations from statistical behavior
by: Emilio Martínez-Núñez, et al.
Published: (2002-07-01)

Les décompositions des fonctions en PITS
by: Simard, Patrick
Published: (2006)

Bis(2,6-diamino-3,5-dibromopyridinium) hexabromidostannate(IV)
by: Basem Fares Ali, et al.
Published: (2009-05-01)

Evaluation of Endoglin (CD105) expression in pediatric rhabdomyosarcoma
by: Virginia Di Paolo, et al.
Published: (2018-01-01)

A Novel CD105 Determination System Based on an Ultrasensitive Bioelectrochemical Strategy with Pt Nanoparticles
by: Zhiqing Liang, et al.
Published: (2012-10-01)

Thermal runaway reaction hazard and decomposition mechanism of the hydroxylamine system
by: Wei, Chunyang
Published: (2006)

Structural effects in the unimolecular decomposition of diphenyldiazomethanes /
by: Miller, Robert John
Published: (1975)

Regulating Reproduction - Evaluating The Canadian Law On Surrogacy And Surrogate Motherhood
by: Menon, Nisha
Published: (2009)

Regulating Reproduction - Evaluating The Canadian Law On Surrogacy And Surrogate Motherhood
by: Menon, Nisha
Published: (2009)

Expressão da cox-2 e CD105 no câncer de mama e sobrevida livre de doença Cox-2 and CD105 expression in breast cancer and disease-free survival
by: Melina Grudzinski, et al.
Published: (2006-08-01)

IMPLEMENTATION OF THE METHOD OF KINEMATIC DECOMPOSITION FOR CALCULATIONS IN NONLINEAR FORMULATION
by: E. K. Agakhanov, et al.
Published: (2016-07-01)

Unimolecular Decomposition Reactions of Propylamine and Protonated Propylamine
by: Mansour H. Almatarneh, et al.
Published: (2019-02-01)

KAJIAN KESESUAIAN PERLAKUAN AKUNTANSI MUDHARABAH DENGAN PSAK NO.105 PADA KOPERASI SYARIAH LAMONGAN
by: Eny Latifah, et al.
Published: (2016-09-01)

What makes the lysis clock tick? A study of the bacteriophage holin
by: White, Rebecca Lynn
Published: (2010)