Manaa, M. Riad : rechercher sur Z-Library

Année:

2009

Langue:

english

Fichier:

PDF, 1.31 MB

english, 2009

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

Journal:

Année:

1993

Langue:

english

Fichier:

PDF, 713 KB

english, 1993

Photodissociation of NaK: Ab initio spin-orbit interactions of the Na (3 2S) K (4 2PJ) manifold

International Journal of Quantum Chemistry

Journal:

Année:

1999

Langue:

english

Fichier:

PDF, 217 KB

english, 1999

The mechanism of the reaction CH(X 2Π) + N2 (X 1Σ+g) → HCN (X 1Σ+) + N (4S).: II. The intermediate complex region

M. Riad Manaa, David R. Yarkony

Journal:

Année:

1992

Langue:

english

Fichier:

PDF, 629 KB

english, 1992

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

Journal:

M. Riad Manaa, Rui-Hua Xie, Vedene H. Smith Jr.

Année:

2003

Langue:

english

Fichier:

PDF, 165 KB

english, 2003

Structure, vibrational, and electronic spectra of heterofullerene C48(BN)6

Journal:

Année:

2004

Langue:

english

Fichier:

PDF, 316 KB

english, 2004

Raman scattering of azafullerene C48N12

Journal:

Année:

2004

Langue:

english

Fichier:

PDF, 382 KB

english, 2004

Enhanced energetic stability and optical activity of symmetry-reduced C60

Journal:

M. Riad Manaa, David W. Sprehn, Heather A. Ichord

Année:

2006

Langue:

english

Fichier:

PDF, 185 KB

english, 2006

High-energy structures of azafullerene C48N12

Journal:

M. Riad Manaa, Heather A. Ichord, David W. Sprehn

Année:

2003

Langue:

english

Fichier:

PDF, 181 KB

english, 2003

Predicted molecular structure of novel C48B12

Journal:

M.Riad Manaa, Cary F. Chabalowski

Année:

2003

Langue:

english

Fichier:

PDF, 257 KB

english, 2003

A theoretical treatment of the intersystem crossing in the spin-forbidden reaction NO(X 2Π)+CO(X 1Σ+) → N(4S)+CO2(X 1Σ+g)

Journal:

Année:

1999

Langue:

english

Fichier:

PDF, 128 KB

english, 1999

The fragmentation of SH(A2Σ+): Ab initio calculations of spin-orbit and coriolis interactions

International Journal of Quantum Chemistry

Journal:

Année:

1995

Langue:

english

Fichier:

PDF, 595 KB

english, 1995

Toward new energy-rich molecular systems: from N10 to N60

M.Riad Manaa

Journal:

Reed, Evan J., Riad Manaa, M., Fried, Laurence E., Glaesemann, Kurt R., Joannopoulos, J. D.

Année:

2000

Langue:

english

Fichier:

PDF, 167 KB

english, 2000

A transient semimetallic layer in detonating nitromethane

Journal:

Nature Physics

Année:

2007

Langue:

english

Fichier:

PDF, 757 KB

english, 2007

Prediction of Extended Aromaticity for a Novel C48N12 Azafullerene Structure

Manaa, M. Riad, Sprehn, David W., Ichord, Heather A.

Journal:

Année:

2002

Langue:

english

Fichier:

PDF, 46 KB

english, 2002

Internal Rotation in Energetic Systems: TATB

Journal:

Manaa, M. Riad, Gee, Richard H., Fried, Laurence E.

Année:

2001

Langue:

english

Fichier:

PDF, 61 KB

english, 2001

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

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2002

Langue:

english

Fichier:

PDF, 68 KB

english, 2002

A comparative study of cubic B4N4 and C8

M.Riad Manaa

Journal:

Année:

2001

Langue:

english

Fichier:

PDF, 62 KB

english, 2001

D ESIGN AND S YNTHESIS OF E NERGETIC M ATERIALS1

Fried, Laurence E, Manaa, M Riad, Pagoria, Philip F, Simpson, Randall L.

Journal:

Annual Review of Materials Research

Année:

2001

Langue:

english

Fichier:

PDF, 558 KB

english, 2001

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

The Journal of Physical Chemistry C

Journal:

Année:

2012

Langue:

english

Fichier:

PDF, 2.39 MB

english, 2012

An ab Initio Study of the Structures of Cyclic N 4 O 2

Manaa, M. Riad, Chabalowski, Cary F.

Journal:

Journal of Physical Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 362 KB

english, 1996

Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes. I. C[sub 60], C[sub 59]N[sup +], and C[sub 48]N[sub 12]: Theory and experiment

Xie, Rui-Hua, Bryant, Garnett W., Sun, Guangyu, Nicklaus, Marc C., Heringer, David, Frauenheim, Th., Manaa, M. Riad, Smith, Vedene H., Araki, Yasuyuki, Ito, Osamu

Journal:

Riad Manaa, M., Reed, Evan J., Fried, Laurence E., Galli, Giulia, Gygi, François

Année:

2004

Langue:

english

Fichier:

PDF, 531 KB

english, 2004

Early chemistry in hot and dense nitromethane: Molecular dynamics simulations

Journal:

Manaa, M. Riad, Fried, Laurence E., Melius, Carl F., Elstner, Marcus, Frauenheim, Th.

Année:

2004

Langue:

english

Fichier:

PDF, 838 KB

english, 2004

Decomposition of HMX at Extreme Conditions: A Molecular Dynamics Simulation

Journal:

Margetis, Dionisios, Kaxiras, Efthimios, Elstner, Marcus, Frauenheim, Th., Manaa, M. Riad

Année:

2002

Langue:

english

Fichier:

PDF, 125 KB

english, 2002

Electronic structure of solid nitromethane: Effects of high pressure and molecular vacancies

Journal:

Année:

2002

Langue:

english

Fichier:

PDF, 834 KB

english, 2002

Shear-induced metallization of triamino-trinitrobenzene crystals

Riad Manaa, M.

Journal:

Applied Physics Letters

Année:

2003

Langue:

english

Fichier:

PDF, 353 KB

english, 2003

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

Journal:

Manaa, M. Riad, Mitchell, Alexander R., Garza, Raul G., Pagoria, Philip F., Watkins, Bruce E.

Année:

1998

Langue:

english

Fichier:

PDF, 90 KB

english, 1998

Flash Ignition and Initiation of Explosives−Nanotubes Mixture

Journal:

Manaa, M. Riad, Kuo, I-Feng W., Fried, Laurence E.

Année:

2005

Langue:

english

Fichier:

PDF, 330 KB

english, 2005

[Advances in Quantum Chemistry] Energetic Materials Volume 69 || The Reactivity of Energetic Materials Under High Pressure and Temperature

Manaa, M. Riad

Année:

2014

Langue:

english

Fichier:

PDF, 2.31 MB

english, 2014

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

Journal:

Song, Yang, Manaa, M. Riad

Année:

2014

Langue:

english

Fichier:

PDF, 1.98 MB

english, 2014

New Trends in Chemistry and Materials Science in Extremely Tight Space

Journal:

The Journal of Physical Chemistry C

Année:

2012

Langue:

english

Fichier:

PDF, 157 KB

english, 2012

Intersystem Crossings in Model Energetic Materials

Journal:

Année:

1999

Langue:

english

Fichier:

PDF, 59 KB

english, 1999

On the Role of Conical Intersections of Two Potential Energy Surfaces of the Same Symmetry in Photodissociation. 2. CH3SCH3 .fwdarw. CH3S + CH3

Journal:

Carter, Jeffrey A., Zaug, Joseph M., Nelson, A. J., Armstrong, Michael R., Manaa, M. Riad

Année:

1994

Langue:

english

Fichier:

PDF, 1.01 MB

english, 1994

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

Journal:

Année:

2012

Langue:

english

Fichier:

PDF, 1.68 MB

english, 2012

On the intersection of potential energy surfaces in charge transfer reactions: A crossing seam for two states of the same symmetry in the reaction H++NO(X 2Π)→H(2S)+NO+(X 1Σ+)

Journal:

Année:

1992

Langue:

english

Fichier:

PDF, 490 KB

english, 1992

The predissociation mechanism of the B̃ [sup 2]A[sup ʹ] state of HCO via the conical intersection with the X̃ [sup 2]A[sup ʹ] state

Manaa, M. Riad

Journal:

Goncharov, Alexander F., Manaa, M. Riad, Zaug, Joseph M., Gee, Richard H., Fried, Laurence E., Montgomery, Wren B.

Année:

2000

Langue:

english

Fichier:

PDF, 329 KB

english, 2000

Polymerization of Formic Acid under High Pressure

Journal:

Physical Review Letters

Année:

2005

Langue:

english

Fichier:

PDF, 863 KB

english, 2005

)

Reed, Evan J., Rodriguez, Alejandro W., Manaa, M. Riad, Fried, Laurence E., Tarver, Craig M.

Journal:

Physical Review Letters

Année:

2012

Langue:

english

Fichier:

PDF, 1.39 MB

english, 2012

On the mechanism of the reaction CH(X 2Π)+N2(X 1Σ+g)→HCN(X 1Σ+) +N(4S ). I. A theoretical treatment of the electronic structure aspects of the intersystem crossing

Riad Manaa, M., Yarkony, David R.

Journal:

Année:

1991

Langue:

english

Fichier:

PDF, 1.01 MB

english, 1991

On the perturbation of the B̃ 2A’ state of HCO by the 1 4A‘ and 1 4A’ states: Surfaces of intersection and spin–orbit interactions

Journal:

Année:

1994

Langue:

english

Fichier:

PDF, 848 KB

english, 1994

Nonadiabatic perturbations and fine structure splittings in the 1,2 3Πg states of B2: An analysis based on adiabatic and rigorous diabatic states

Journal:

Année:

1994

Langue:

english

Fichier:

PDF, 903 KB

english, 1994

A theoretical treatment of thea [sup 3]Σ[sub 1][sup +] →X[sup 1]Σ[sub 0[sup +]][sup +] spin-forbidden dipole-allowed radiative transition in NO+

Journal:

Riad Manaa, M., Yarkony, David R.

Année:

1991

Langue:

english

Fichier:

PDF, 677 KB

english, 1991

On the noncrossing rule in polyatomic systems: Determination of a seam of actual surface crossings relevant to the quenching of H2(B 1Σ+u) by helium

Journal:

Qi, Jianxin, Bowman, Joel M., Manaa, M. Riad

Année:

1990

Langue:

english

Fichier:

PDF, 450 KB

english, 1990

Ab initio characterization of the low-lying vibrations of HCO (DCO) in the B̃ 2Aʹ state

Journal:

Année:

1995

Langue:

english

Fichier:

PDF, 516 KB

english, 1995

Avoided surface crossings and nonadiabatic effects in the electronic quenching reaction lithium(2P) + hydrogen chloride .fwdarw. lithium chloride + hydrogen atom(2S)

Journal of Physical Chemistry

Journal:

Année:

1993

Langue:

english

Fichier:

PDF, 1.39 MB

english, 1993

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

Manaa, M. Riad, Fried, Laurence E., Kuo, I-Feng W.

Journal:

Journal of Computational and Theoretical Nanoscience

Année:

2016

Langue:

english

Fichier:

PDF, 369 KB

english, 2016

Optimization of Optical and Electronic Properties of Carbon Fullerenes: Symmetry-Reduced C60 and Dumbbell-Like Novel Structures

Manaa, M. Riad

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 1.64 MB

english, 2009

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

Stavrou, Elissaios, Riad Manaa, M., Zaug, Joseph M., Kuo, I-Feng W., Pagoria, Philip F., Kalkan, Bora, Crowhurst, Jonathan C., Armstrong, Michael R.

Journal: