Nicholas Lease
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View article: Understanding Trigger Linkage Dynamics in Energetic Materials Using Mixed Picramide Nitrate Ester Explosives
Understanding Trigger Linkage Dynamics in Energetic Materials Using Mixed Picramide Nitrate Ester Explosives Open
The ability to predict the handling sensitivity of new organic energetic materials has been a longstanding goal. We report the synthesis and characterization of six new nitropicramide energetic materials with mixed functional groups that m…
View article: Synthesis and investigation into explosive sensitivity for a series of new picramide explosives
Synthesis and investigation into explosive sensitivity for a series of new picramide explosives Open
View article: Large-Scale Analysis on Accelerated Aging of Pentaerythritol Tetranitrate (PETN) Powders in Detonators
Large-Scale Analysis on Accelerated Aging of Pentaerythritol Tetranitrate (PETN) Powders in Detonators Open
Pentaerythritol tetranitrate (PETN) has been used extensively in commercial detonators and other explosive applications for many decades. Here, we show the results of a comprehensive 1.5 year aging study of PETN in commercial detonators, a…
View article: CCDC 2252055: Experimental Crystal Structure Determination
CCDC 2252055: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2252056: Experimental Crystal Structure Determination
CCDC 2252056: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2252060: Experimental Crystal Structure Determination
CCDC 2252060: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2252053: Experimental Crystal Structure Determination
CCDC 2252053: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2252052: Experimental Crystal Structure Determination
CCDC 2252052: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2252057: Experimental Crystal Structure Determination
CCDC 2252057: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2252058: Experimental Crystal Structure Determination
CCDC 2252058: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2252061: Experimental Crystal Structure Determination
CCDC 2252061: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2252054: Experimental Crystal Structure Determination
CCDC 2252054: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2252059: Experimental Crystal Structure Determination
CCDC 2252059: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Chemical Descriptors for a Large-Scale Study on Drop-Weight Impact Sensitivity of High Explosives
Chemical Descriptors for a Large-Scale Study on Drop-Weight Impact Sensitivity of High Explosives Open
The drop-weight impact test is an experiment that has been used for nearly 80 years to evaluate handling sensitivity of high explosives. Although the results of this test are known to have large statistical uncertainties, it is one of the …
View article: Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity
Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity Open
Derivatives of pentaerythritol tetranitrate (PETN) have been prepared with halogen substituents and systematically evaluated for handling sensitivity properties and performance characteristics such as heat of explosion ( Q ).
View article: Radiolytic degradation of dodecane substituted with common energetic functional groups
Radiolytic degradation of dodecane substituted with common energetic functional groups Open
The relative radiolytic stability of dodecane functionalized with common energetic functional groups was explored with gamma irradiation and probed by various analytical techniques.
View article: Radiation stability of the nitrate ester energetic functional group
Radiation stability of the nitrate ester energetic functional group Open
View article: Prediction of impact sensitivity, heat of formation and heat of explosion using atomic connectivity
Prediction of impact sensitivity, heat of formation and heat of explosion using atomic connectivity Open
In these proceedings we revisit a large collection of explosives and explosive descriptors with the goal of predicting impact sensitivity using only local atomic environments that can be deciphered from molecular SMILES strings as descript…
View article: Identifying the Molecular Properties that Drive Explosive Sensitivity in a Series of Nitrate Esters
Identifying the Molecular Properties that Drive Explosive Sensitivity in a Series of Nitrate Esters Open
Energetic materials undergo hundreds of chemical reactions during exothermic runaway, generally beginning with the breaking of the weakest chemical bond, the "trigger linkage." Herein we report the syntheses of a series of pentaerythritol …
View article: Understanding Explosive Sensitivity with Effective Trigger Linkage Kinetics
Understanding Explosive Sensitivity with Effective Trigger Linkage Kinetics Open
We present a simple linear model for ranking the drop weight impact sensitivity of organic explosives that is based explicitly on chemical kinetics. The model is parameterized to specific heats of explosion, Q, and Arrhenius kinetic…
View article: CCDC 2119899: Experimental Crystal Structure Determination
CCDC 2119899: Experimental Crystal Structure Determination Open
View article: CCDC 2087439: Experimental Crystal Structure Determination
CCDC 2087439: Experimental Crystal Structure Determination Open
View article: CCDC 2087441: Experimental Crystal Structure Determination
CCDC 2087441: Experimental Crystal Structure Determination Open
View article: Reactivity of Iridium Complexes of a Triphosphorus-Pincer Ligand Based on a Secondary Phosphine. Catalytic Alkane Dehydrogenation and the Origin of Extremely High Activity
Reactivity of Iridium Complexes of a Triphosphorus-Pincer Ligand Based on a Secondary Phosphine. Catalytic Alkane Dehydrogenation and the Origin of Extremely High Activity Open
The selective functionalization of alkanes and alkyl groups is a major goal of chemical catalysis. Toward this end, a bulky triphosphine with a central secondary phosphino group, bis(2-di-t-butyl-phosphinophenyl)phosphine (tBu<…
View article: Reactivity of Iridium Complexes of a Triphosphorus-Pincer Ligand Based on a Secondary Phosphine. Catalytic Alkane Dehydrogenation and the Origin of Extremely High Activity
Reactivity of Iridium Complexes of a Triphosphorus-Pincer Ligand Based on a Secondary Phosphine. Catalytic Alkane Dehydrogenation and the Origin of Extremely High Activity Open
The selective functionalization of alkanes and alkyl groups is a major goal of chemical catalysis. Toward this end, a bulky triphosphine with a central secondary phosphino group, bis(2 di-t-butyl-phosphinophenyl)phosphine (tBuPHPP), has be…
View article: Analysis of Ignition Sites for the Explosives 3,3′-Diamino-4,4′-azoxyfurazan (DAAF) and 1,3,5,7-Tetranitro-1,3,5,7-tetrazoctane (HMX) Using Crush Gun Impact Testing
Analysis of Ignition Sites for the Explosives 3,3′-Diamino-4,4′-azoxyfurazan (DAAF) and 1,3,5,7-Tetranitro-1,3,5,7-tetrazoctane (HMX) Using Crush Gun Impact Testing Open
The handling safety characteristics of energetic materials must be measured in order to ensure the safe transport and use of explosives. Drop-weight impact sensitivity measurements are one of the first standardized tests performed for ener…
View article: Atom Equivalent Energies for the Rapid Estimation of the Heat of Formation of Explosive Molecules from Density Functional Tight Binding Theory
Atom Equivalent Energies for the Rapid Estimation of the Heat of Formation of Explosive Molecules from Density Functional Tight Binding Theory Open
Atom equivalent energies have been derived from which the gas-phase heat of formation of explosive molecules can be estimated from fast, semiempirical density functional tight binding total energy calculations. The root-mean-square deviati…
View article: CCDC 2075569: Experimental Crystal Structure Determination
CCDC 2075569: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Identification of Blue Discoloration in PBX 9404 using Ultrahigh Pressure Liquid Chromatography with Quadrupole Time‐of‐Flight Mass Spectrometry
Identification of Blue Discoloration in PBX 9404 using Ultrahigh Pressure Liquid Chromatography with Quadrupole Time‐of‐Flight Mass Spectrometry Open
PBX 9404, composed of 94 wt% HMX (1,3,5,7‐Tetranitro‐1,3,5,7‐tetrazoctane), 3 wt% NC (nitrocellulose), 2.9 wt% CEF (tris(beta‐chloroethyl) phosphate) and 0.1 wt% DPA (diphenylamine), has often been observed with a slight to entire blue dis…
View article: The Role of Pentaerythritol Tetranitrate (PETN) Aging in Determining Detonator Firing Characteristics
The Role of Pentaerythritol Tetranitrate (PETN) Aging in Determining Detonator Firing Characteristics Open
Pentaerythritol tetranitrate (PETN) is one of the most commonly used explosives for both military and mining applications. PETN is used in EBW (exploding bridge wire) and EFI (exploding foil initiator) detonator devices. Due the widespread…