Quasiclassical trajectory study of six-centered bond exchange reaction between hydrogen molecules
The termolecular reaction between three hydrogen molecules is modelled as occurring between a dimer (H2)2 and a hydrogen molecule. The potential energy for these system is calculated on the basis of London-Eyring-Polanyi-Sato approach by adjusting the Sato parameter to reproduce the ab initio energ...
| Main Author: | Ibrahim Ali , Noorbatcha |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Institut Kimia Malaysia (IKM)
1998
|
| Subjects: | |
| Online Access: | http://irep.iium.edu.my/34912/ http://irep.iium.edu.my/34912/1/MJC_1998.pdf |
Similar Items
Cage effect in the dissociation of van der Waals complexes RgI2 (Rg=Ar, Kr, Xe): A quasiclassical trajectory study
by: Ibrahim Ali , Noorbatcha
Published: (1984)
by: Ibrahim Ali , Noorbatcha
Published: (1984)
Dynamics of a model 6-center exchange-reaction
by: Ibrahim Ali , Noorbatcha
Published: (1987)
by: Ibrahim Ali , Noorbatcha
Published: (1987)
Dynamics of a prototype alkali-hydrogen-halide exchange reaction on an ab initio potential-energy surface
by: Ibrahim Ali , Noorbatcha
Published: (1984)
by: Ibrahim Ali , Noorbatcha
Published: (1984)
Classical trajectory simulations of photodissociation of CH3Br at surfaces
by: Ibrahim Ali , Noorbatcha
Published: (1992)
by: Ibrahim Ali , Noorbatcha
Published: (1992)
Molecular orbital analysis of the reaction paths for termolecular reactions
by: Ibrahim Ali , Noorbatcha
Published: (1999)
by: Ibrahim Ali , Noorbatcha
Published: (1999)
Monte-carlo simulations of gas-phase collisions in rapid desorption of molecules from surfaces
by: Ibrahim Ali , Noorbatcha
Published: (1987)
by: Ibrahim Ali , Noorbatcha
Published: (1987)
Potential energy surfaces for reactions among hydrogen fluoride molecules
by: Noorbatcha, Ibrahim Ali, et al.
Published: (2011)
by: Noorbatcha, Ibrahim Ali, et al.
Published: (2011)
Classical trajectory study of adsorption and surface diffusion of Si on Si(100)
by: Ibrahim Ali , Noorbatcha, et al.
Published: (1984)
by: Ibrahim Ali , Noorbatcha, et al.
Published: (1984)
Dynamics of the termolecular (HF+HF+HF) reaction
by: Ibrahim Ali , Noorbatcha
Published: (2006)
by: Ibrahim Ali , Noorbatcha
Published: (2006)
Monte Carlo simulations of gas‐phase collisions in rapid desorption of molecules from surfaces
by: Ibrahim Ali , Noorbatcha, et al.
Published: (1987)
by: Ibrahim Ali , Noorbatcha, et al.
Published: (1987)
Effects of gas‐phase collisions in rapid desorption of molecules from surfaces in the presence of coadsorbates
by: Ibrahim Ali , Noorbatcha, et al.
Published: (1988)
by: Ibrahim Ali , Noorbatcha, et al.
Published: (1988)
A phenomenological approach to the calculation of the diffusion coefficient for Si on Si(111) using classical trajectories
by: Ibrahim Ali , Noorbatcha, et al.
Published: (1985)
by: Ibrahim Ali , Noorbatcha, et al.
Published: (1985)
Really, how significant is hydrogen-bonding in supramolecular association in molecular crystals?
by: Tiekink, Edward R. T. *
Published: (2017)
by: Tiekink, Edward R. T. *
Published: (2017)
The energies of non-standard intermolecular interactions are competitive with conventional hydrogen-bonding
by: Tiekink, Edward R. T. *
Published: (2018)
by: Tiekink, Edward R. T. *
Published: (2018)
Investigation of rates of chemical reaction using laplace transform method
by: Ibrahim Ali , Noorbatcha
Published: (2001)
by: Ibrahim Ali , Noorbatcha
Published: (2001)
Monte Carlo variational transition‐state theory study of recombination and desorption of hydrogen on Si(111)
by: Ibrahim Ali , Noorbatcha
Published: (1986)
by: Ibrahim Ali , Noorbatcha
Published: (1986)
Supramolecular architectures featuring Se···N secondary-bonding interactions in crystals of selenium-rich molecules: A comparison with their congeners.
by: Tiekink, Edward R. T. *
Published: (2022)
by: Tiekink, Edward R. T. *
Published: (2022)
Effect of reagent rotation on cross section for the reaction Li + FH → LiF + H
by: Ibrahim Ali , Noorbatcha
Published: (1982)
by: Ibrahim Ali , Noorbatcha
Published: (1982)
PREPARATION AND CHARACTERIZATION OF HYBRID CATALYSTS FOR CO2 HYDROGENATION REACTION
by: Ramli, M. Z., et al.
Published: (2007)
by: Ramli, M. Z., et al.
Published: (2007)
Photoelectrochemical performance of P@MoS2 for hydrogen evolution reaction
by: Thurga Devi, Munusamy, et al.
Published: (2021)
by: Thurga Devi, Munusamy, et al.
Published: (2021)
Effect of the initial orientation on the reaction attributes for Li + FH → Lif + H on an AB initio surface
by: Ibrahim Ali , Noorbatcha, et al.
Published: (1982)
by: Ibrahim Ali , Noorbatcha, et al.
Published: (1982)
Single molecule fluorescence spectroscopy
by: White,, JD, et al.
Published: (2002)
by: White,, JD, et al.
Published: (2002)
Molecules in a state of flux
by: Heard, Peter *
Published: (2018)
by: Heard, Peter *
Published: (2018)
Hydrogen bonding in 2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one methanol solvate
by: Suresh, T., et al.
Published: (2016)
by: Suresh, T., et al.
Published: (2016)
Coordination chemistry of 3- and 4-mercaptobenzoate ligands: Versatile hydrogen-bonding isomers of the thiosalicylate (2-mercaptobenzoate) ligand
by: Tiekink, Edward R. T. *, et al.
Published: (2017)
by: Tiekink, Edward R. T. *, et al.
Published: (2017)
Poly(hydroxamic acid) Functionalized Copper Catalyzed C–N Bond Formation Reactions
by: Islam, Md Shaharul, et al.
Published: (2016)
by: Islam, Md Shaharul, et al.
Published: (2016)
Vibrational threshold equal to the barrier height for an endothermic reaction: Li+FH→LiF+H on an ab initio potential-energy surface
by: Ibrahim Ali , Noorbatcha, et al.
Published: (1981)
by: Ibrahim Ali , Noorbatcha, et al.
Published: (1981)
Degree of Reaction and Alkali-Leaching of Geopolymer Containing Ca-Rich Source Material and Dipotassium Hydrogen Phosphate
by: Norbaizurah, Rahman, et al.
Published: (2018)
by: Norbaizurah, Rahman, et al.
Published: (2018)
Competing supramolecular interactions in crystals
of heavy-element compounds – a consideration of the
energies of association between molecules
by: Tiekink, Edward R. T. *
Published: (2018)
by: Tiekink, Edward R. T. *
Published: (2018)
Competing supramolecular interactions in crystals
of heavy-element compounds – a consideration of the
energies of association between molecules
by: Tiekink, Edward R. T. *
Published: (2018)
by: Tiekink, Edward R. T. *
Published: (2018)
Essential oils of six Piper species
by: Oh, Boon Thai
Published: (2007)
by: Oh, Boon Thai
Published: (2007)
Novel Concept of Aligning the Molecules for Electronic Paper Displays
by: Hegde, Gurumurthy, et al.
Published: (2013)
by: Hegde, Gurumurthy, et al.
Published: (2013)
Highly Active and Reusable Kenaf Cellulose Supported Bio-Poly(hydroxamic acid) Functionalized Copper Catalysts for C–N Bond Formation Reactions
by: Siti Hajar, Mohamad Ros, et al.
Published: (2017)
by: Siti Hajar, Mohamad Ros, et al.
Published: (2017)
Biotransformation and stereoselective synthesis of pharmaceutical molecules from linoleic acid
by: Omar, Muhammad Nor, et al.
Published: (2007)
by: Omar, Muhammad Nor, et al.
Published: (2007)
Resurging interest in secondary bonding
by: Tiekink, Edward R. T. *
Published: (2019)
by: Tiekink, Edward R. T. *
Published: (2019)
Preparation of magnesium diniobate by solid-state reactions and its role for hydrogen storage
by: Rahman, Md. Wasikur
Published: (2019)
by: Rahman, Md. Wasikur
Published: (2019)
Analysis of students’ diagrams of water molecules in snowflakes to reveal their conceptual understanding of hydrogen bonds
by: Matovu, Henry, et al.
Published: (2022)
by: Matovu, Henry, et al.
Published: (2022)
Cyclization vs. Cyclization/Dimerization in o-Amidostilbene
Radical Cation Cascade Reactions: the Amide question
by: Chin , Hui Kee, et al.
Published: (2011)
by: Chin , Hui Kee, et al.
Published: (2011)
Characterising supramolecular architectures in crystals featuring i⋯br halogen bonding: Persistence of X⋯X’ secondary-bonding in their congeners
by: Tiekink, Edward R. T. *
Published: (2021)
by: Tiekink, Edward R. T. *
Published: (2021)
Ligands modulate reaction pathway in the hydrogenation
of 4-Nitrophenol catalyzed by gold nanoclusters
by: Nasaruddin, Ricca Rahman, et al.
Published: (2018)
by: Nasaruddin, Ricca Rahman, et al.
Published: (2018)
Similar Items
-
Cage effect in the dissociation of van der Waals complexes RgI2 (Rg=Ar, Kr, Xe): A quasiclassical trajectory study
by: Ibrahim Ali , Noorbatcha
Published: (1984) -
Dynamics of a model 6-center exchange-reaction
by: Ibrahim Ali , Noorbatcha
Published: (1987) -
Dynamics of a prototype alkali-hydrogen-halide exchange reaction on an ab initio potential-energy surface
by: Ibrahim Ali , Noorbatcha
Published: (1984) -
Classical trajectory simulations of photodissociation of CH3Br at surfaces
by: Ibrahim Ali , Noorbatcha
Published: (1992) -
Molecular orbital analysis of the reaction paths for termolecular reactions
by: Ibrahim Ali , Noorbatcha
Published: (1999)