H. Abou-Rachid

发表

SENSITIVITY OF POLYMER-BONDED EXPLOSIVES FROM MOLECULAR MODELING DATA

J. Brisson, A. Soldera, D. Brochu, 2017 .

Dielectric constant predictions for energetic materials using quantum calculations

J. Brisson, H. Abou-Rachid, Pierre-Olivier Robitaille, 2020 .

Thermal and chemical durability of nitrogen-doped carbon nanotubes

R. Li, Yong Zhang, Xueliang Sun, 2012, Journal of Nanoparticle Research.

Theoretical study of ignition reactions of linear symmetrical monoethers as potential diesel fuel additives: DFT calculations

S. Kaliaguine, H. Abou-Rachid, Karim El Marrouni, 2008 .

Density functional theory kinetic assessment of hydrogen abstraction from hydrocarbons by O2

S. Kaliaguine, H. Abou-Rachid, Karim El Marrouni, 2004 .

Direct Z-scheme mediated SmVO4/UiO-66-NH2 heterojunction nanocomposite for the degradation of antibiotic tetracycline hydrochloride molecules under sunlight.

T. Do, M. Sakar, Duc-Trung Nguyen, 2022, Chemosphere.

Effects of bimetallic catalysts on synthesis of nitrogen-doped carbon nanotubes as nanoscale energetic materials

R. Li, X. Sun, Yong Zhang, 2011 .

Ab initio CI study of the reaction between NH2 and NO

C. Pouchan, M. Chaillet, H. Abou-Rachid, 1984 .

Modeling and Measurement of Glass Transition Temperatures of Energetic and Inert Systems

J. Brisson, Nicole L. Gagnon, H. Abou-Rachid, 2008 .

UNIFORM- AND HIGH-YIELD CARBON NANOTUBES WITH MODULATED NITROGEN CONCENTRATION FOR PROMISING NANOSCALE ENERGETIC MATERIALS

R. Li, X. Sun, Yong Zhang, 2010 .

On the 1,3-dipolar cycloaddition reactions of indenone with N-N-C dipoles: density functional theory calculations.

A. Jalbout, H. Abou-Rachid, Z. Jiang, 2004, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Dynamical quenching of laser-induced dissociations of diatomic molecules in intense infrared fields: Effects of molecular rotations and misalignments

O. Atabek, H. Abou-Rachid, T. Nguyen-Dang, 2001 .

Dynamical quenching of laser-induced dissociations of heteronuclear diatomic molecules in intense infrared fields

O. Atabek, H. Abou-Rachid, T. Nguyen-Dang, 1999 .

Nonperturbative wave packet dynamics of the photodissociation of H2+ in ultrashort laser pulses

H. Abou-Rachid, T. Nguyen-Dang, Xin He, 1992 .

Microwave holography using a magnetic tunnel junction based spintronic microwave sensor

Hong Guo, L. Bai, Y. Gui, 2015 .

The HCOH torsional potential: ab initio study

A. Jalbout, H. Abou-Rachid, M. Solimannejad, 2004 .

Analysis of gaussian torsional potentials: The HCSH case

A. Jalbout, H. Abou-Rachid, M. Solimannejad, 2003 .

Theoretical prediction of the IR spectra of nitrosamide and diazohydroxide

C. Pouchan, H. Abou-Rachid, 1985 .

Machine-learning Assisted Screening of Energetic Materials.

Hong Guo, P. Kang, H. Abou-Rachid, 2020, The journal of physical chemistry. A.

Predicting solid-state heats of formation of newly synthesized polynitrogen materials by using quantum mechanical calculations.

W. Goddard, S. Dudiy, S. Zybin, 2008, The journal of physical chemistry. A.

Energetic Molecules Encapsulated Inside Carbon Nanotubes and between Graphene Layers: DFT Calculations

F. Zahid, Hong Guo, Manuel Smeu, 2011 .

Synthesis of high nitrogen doping of carbon nanotubes and modeling the stabilization of filled DAATO@CNTs (10,10) for nanoenergetic materials

R. Li, X. Sun, Yong Zhang, 2010 .

DFT studies of the hydrogen abstraction from primary alcohols by O2 in relation with cetane number data

Hakima Abou-Rachid, S. Kaliaguine, Serge Kaliaguine, 2003 .

On the correlation between kinetic rate constants in the auto-ignition process of some oxygenates and their cetane number: a quantum chemical study

Hakima Abou-Rachid, Guoying Xu, S. Kaliaguine, 2003 .

Radiative transitions induced by short laser pulses in atomic collisions: Nonperturbative study of pulse shape effects

H. Abou-Rachid, T. Nguyen-Dang, 1992 .

Structural and morphological control of aligned nitrogen- doped carbon nanotubes

R. Li, X. Sun, Yong Zhang, 2010 .

A First Principles Density Functional Study of Crystalline FOX‐7 Chemical Decomposition Process under External Pressure

Hong Guo, B. Larade, H. Abou-Rachid, 2006 .

On the Correlation between Miscibility and Solubility Properties of Energetic Plasticizers/Polymer Blends: Modeling and Simulation Studies

J. Brisson, S. Ringuette, H. Abou-Rachid, 2008 .

Controllable atomic layer deposition of one-dimensional nanotubular TiO2

R. Li, X. Sun, Xifei Li, 2013 .

Nitrogen-doping effects on the growth, structure and electrical performance of carbon nanotubes obtained by spray pyrolysis method

R. Li, X. Sun, Yong Zhang, 2012 .

Polymeric nitrogen in a graphene matrix: An ab initio study

Hong Guo, W. Ji, V. Timoshevskii, 2009 .

Nanoscale high energetic materials: a polymeric nitrogen chain N(8) confined inside a carbon nanotube.

V. Timoshevskii, H. Abou-Rachid, A. Hu, 2008, Physical review letters.

EVIDENCE FOR PLASMA SYNTHESIS OF AN AMORPHOUS POLYNITROGEN ON CARBON NANOTUBES

Z. Iqbal, H. Abou-Rachid, T. Manning, 2016 .

Binding sites of water molecules on GaN (100) surface: DFT calculations

Hong Guo, Zetian Mi, Yu Zhu, 2011, Optics + Photonics for Sustainable Energy.

Analytical potential energy functions and theoretical spectroscopic constants for MX/MX− (MGe, Sn, Pb; XO, S, Se, Te, Po) and LuA (AH, F) systems: Density functional theory calculations

A. Jalbout, Xinhua Li, H. Abou-Rachid, 2007 .

Atomistic studies of RDX and FOX-7 -Based Plastic-Bonded explosives: molecular dynamics simulation

Mounir Jaidann, Hakima Abou-Rachid, Xavier Lafleur-Lambert, 2011, ICCS.

Effects of Interface Interactions on Mechanical Properties in RDX-Based PBXs HTPB-DOA: Molecular Dynamics Simulations

Amal Bouamoul, Mounir Jaidann, Hakima Abou-Rachid, 2009, ICCS.

Theoretical Prediction of Heats of Sublimation of Energetic Materials Using Pseudo‐Atomic Orbital Density Functional Theory Calculations

Hong Guo, B. Larade, S. Dudiy, 2007 .

Hydrogen-free spray pyrolysis chemical vapor deposition method for the carbon nanotube growth: Parametric studies

R. Li, X. Sun, Yong Zhang, 2011 .

NOVEL APPROACH TO MAKE HUGONIOT PREDICTIONS: QUANTUM MECHANICS/MOLECULAR DYNAMICS CALCULATIONS

J. Brisson, A. Bouamoul, H. Abou-Rachid, 2016 .