UB Paderborn / Katalog / Suche / in CDI

The high pressure structure and equation of state of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) up to 20 GPa: X-ray diffraction measurements and first principles molecular dynamics simulations

The Journal of chemical physics, 2015-10, Vol.143 (14), p.144506-144506

2015

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A transient semimetallic layer in detonating nitromethane

Nature physics, 2008-01, Vol.4 (1), p.72-76

2008

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First-principles high-pressure unreacted equation of state and heat of formation of crystal 2,6-diamino-3, 5-dinitropyrazine-1-oxide (LLM-105)

The Journal of chemical physics, 2014-08, Vol.141 (6), p.064702-064702

2014

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Nearly Equivalent Inter- and Intramolecular Hydrogen Bonding in 1,3,5-Triamino-2,4,6-trinitrobenzene at High Pressure

Journal of physical chemistry. C, 2012-01, Vol.116 (3), p.2116-2122

2012

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Ultrafast detonation of hydrazoic acid (HN3)

Physical review letters, 2012-07, Vol.109 (3), p.038301-038301, Article 038301

2012

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Design and synthesis of energetic materials

Annual review of materials research, 2001-01, Vol.31 (1), p.291-321

2001

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Early chemistry in hot and dense nitromethane: molecular dynamics simulations

The Journal of chemical physics, 2004-06, Vol.120 (21), p.10146-10153

2004

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Ultrafast Shock Compression and Shock-Induced Decomposition of 1,3,5-Triamino-2,4,6-trinitrobenzene Subjected to a Subnanosecond-Duration Shock: An Analysis of Decomposition Products

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-05, Vol.116 (20), p.4851-4859

2012

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Nitrogen-Rich Heterocycles as Reactivity Retardants in Shocked Insensitive Explosives

Journal of the American Chemical Society, 2009-04, Vol.131 (15), p.5483-5487

2009

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Flash Ignition and Initiation of Explosives−Nanotubes Mixture

Journal of the American Chemical Society, 2005-10, Vol.127 (40), p.13786-13787

2005

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Polymerization of formic acid under high pressure

Physical review letters, 2005-02, Vol.94 (6), p.065505.1-065505.4, Article 065505

2005

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Shear-induced metallization of triamino-trinitrobenzene crystals

Applied physics letters, 2003-08, Vol.83 (7), p.1352-1354

Riad Manaa, M.

2003

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C48N12 and C48B12 as a donor-acceptor pair for molecular electronics

Chemical physics letters, 2003-11, Vol.382 (1-2), p.194-197

MANAA, M. Riad

2003

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An experimental characterization of condensed phase soot from overdriven detonation of composition B

AIP Conference Proceedings, 2018, Vol.1979 (1)

2018

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On the intersection of two potential energy surfaces of the same symmetry. Systematic characterization using a Lagrange multiplier constrained procedure

The Journal of chemical physics, 1993-10, Vol.99 (7), p.5251-5256

1993

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Determination of adiabatic ionization potentials and electron affinities of energetic molecules with the Gaussian-4 method

Chemical physics letters, 2017-06, Vol.678 (C), p.102-106

Manaa, M. Riad

2017

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Structure, vibrational, and electronic spectra of heterofullerene C 48(BN) 6

Chemical physics letters, 2004-03, Vol.387 (1), p.101-105

2004

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Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes. I. C60, C59N+, and C48N12: theory and experiment

The Journal of chemical physics, 2004-03, Vol.120 (11), p.5133-5147

2004

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New Trends in Chemistry and Materials Science in Extremely Tight Space

Journal of physical chemistry. C, 2012-01, Vol.116 (3), p.2059-2060

2012

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Predicted molecular structure of novel C48B12

Chemical physics letters, 2003-09, Vol.378 (3-4), p.449-455

2003

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Determination of enthalpies of formation of energetic molecules with composite quantum chemical methods

Chemical physics letters, 2016-03, Vol.648 (C), p.31-35

2016

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Internal Rotation of Amino and Nitro Groups in TATB: MP2 Versus DFT (B3LYP)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2002-09, Vol.106 (37), p.8806-8810

2002

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DFT and ab Initio Study of the Unimolecular Decomposition of the Lowest Singlet and Triplet States of Nitromethane

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1998-11, Vol.102 (48), p.9884-9889

1998

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Chemistry at Extreme Conditions

1, 2005

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High-energy structures of azafullerene C48N12

Chemical physics letters, 2003-06, Vol.374 (3-4), p.405-409

2003

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The high pressure structure and equation of state of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) up to 20 GPa: X-ray diffraction measurements and first principles molecular dynamics simulations

A transient semimetallic layer in detonating nitromethane

First-principles high-pressure unreacted equation of state and heat of formation of crystal 2,6-diamino-3, 5-dinitropyrazine-1-oxide (LLM-105)

Nearly Equivalent Inter- and Intramolecular Hydrogen Bonding in 1,3,5-Triamino-2,4,6-trinitrobenzene at High Pressure

Ultrafast detonation of hydrazoic acid (HN3)

Design and synthesis of energetic materials

Early chemistry in hot and dense nitromethane: molecular dynamics simulations

Ultrafast Shock Compression and Shock-Induced Decomposition of 1,3,5-Triamino-2,4,6-trinitrobenzene Subjected to a Subnanosecond-Duration Shock: An Analysis of Decomposition Products

Nitrogen-Rich Heterocycles as Reactivity Retardants in Shocked Insensitive Explosives

Flash Ignition and Initiation of Explosives−Nanotubes Mixture

Polymerization of formic acid under high pressure

Shear-induced metallization of triamino-trinitrobenzene crystals

C48N12 and C48B12 as a donor-acceptor pair for molecular electronics

An experimental characterization of condensed phase soot from overdriven detonation of composition B

On the intersection of two potential energy surfaces of the same symmetry. Systematic characterization using a Lagrange multiplier constrained procedure

Determination of adiabatic ionization potentials and electron affinities of energetic molecules with the Gaussian-4 method

Structure, vibrational, and electronic spectra of heterofullerene C 48(BN) 6

Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes. I. C60, C59N+, and C48N12: theory and experiment

New Trends in Chemistry and Materials Science in Extremely Tight Space

Predicted molecular structure of novel C48B12

Determination of enthalpies of formation of energetic molecules with composite quantum chemical methods

Internal Rotation of Amino and Nitro Groups in TATB: MP2 Versus DFT (B3LYP)

DFT and ab Initio Study of the Unimolecular Decomposition of the Lowest Singlet and Triplet States of Nitromethane

Chemistry at Extreme Conditions

High-energy structures of azafullerene C48N12

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