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Hydrogenation molecular hydrogen

Neuhauser D, Baer M, Judson R S and Kouri D J 1989 Time-dependent three-dimensional body frame quantal wavepacket treatment of the atomic hydrogen + molecular hydrogen exchange reaction on the Liu-Siegbahn-Truhlar-Horowitz (LSTH) surfaced. Chem. Phys. 90 5882... [Pg.2325]

Hydrogen Molecular hydrogen metabolized by some bacteria Constituent of water and all organic molecules. DjO is toxic to mammals. Bacterial hydrogenases are nrckd-containirg enzymes/... [Pg.1006]

Starr, T. L. and Williams, D. E. (1977a). Comparison of models for molecular hydrogen-molecular hydrogen and molecular hydrogen-helium anisotropic intermolecular repulsions. J. Chem. Phys., 66, 2054-7. [153]... [Pg.386]

Hydrogen Molecular hydrogen metabolized by some bactena... [Pg.1006]

Hydrogen Molecular hydrogen metabo- Constituent of water and all... [Pg.995]

Although catalytic transfer hydrogenation of ketones to alcohols with 2-propanol, according to this scheme, offers an attractive alternative to the reaction with di-hydrogen (molecular hydrogen), it encountered inherent chemical problems when... [Pg.148]

Fischer-Tropsch reaction The catalytic reaction of hydrogen and carbon monoxide (synthesis gas ) to produce high-molecular weight hydrocarbons. [Pg.175]

The carbon atom has a share in eight electrons (Ne structure) whilst each hydrogen atom has a share in two electrons (He structure). This is a gross simplification of covalent bonding, since the actual electrons are present in molecular orbitals which occupy the whole space around the five atoms of the molecule. [Pg.415]

An interesting point is that infrared absorptions that are symmetry-forbidden and hence that do not appear in the spectrum of the gaseous molecule may appear when that molecule is adsorbed. Thus Sheppard and Yates [74] found that normally forbidden bands could be detected in the case of methane and hydrogen adsorbed on glass this meant that there was a decrease in molecular symmetry. In the case of the methane, it appeared from the band shapes that some reduction in rotational degrees of freedom had occurred. Figure XVII-16 shows the IR spectrum for a physisorbed H2 system, and Refs. 69 and 75 give the IR spectra for adsorbed N2 (on Ni) and O2 (in a zeolite), respectively. [Pg.584]

A more elaborate theoretical approach develops the concept of surface molecular orbitals and proceeds to evaluate various overlap integrals [119]. Calculations for hydrogen on Pt( 111) planes were consistent with flash desorption and LEED data. In general, the greatly increased availability of LEED structures for chemisorbed films has allowed correspondingly detailed theoretical interpretations, as, for example, of the commonly observed (C2 x 2) structure [120] (note also Ref. 121). [Pg.704]

Saykally R J and Blake G A 1993 Molecular-interactions and hydrogen-bond tunneling dynamics—some new perspectives Science 259 1570-5... [Pg.1176]

A microwave pulse from a tunable oscillator is injected into the cavity by an anteima, and creates a coherent superposition of rotational states. In the absence of collisions, this superposition emits a free-mduction decay signal, which is detected with an anteima-coupled microwave mixer similar to those used in molecular astrophysics. The data are collected in the time domain and Fourier transfomied to yield the spectrum whose bandwidth is detemimed by the quality factor of the cavity. Hence, such instruments are called Fourier transfomi microwave (FTMW) spectrometers (or Flygare-Balle spectrometers, after the inventors). FTMW instruments are extraordinarily sensitive, and can be used to examine a wide range of stable molecules as well as highly transient or reactive species such as hydrogen-bonded or refractory clusters [29, 30]. [Pg.1244]

The third alternative is a more robust, sensitive and specialized fonn of the first, in that only hydrogen nuclei indirectly spin-spin coupled to in a specific molecular configuration are imaged. In achieving selectivity, the technique exploits the much wider chemical shift dispersion of compared to H. The metliod involves cyclic transfer from selected H nuclei to indirectly spin-spin coupled C nuclei and back according to the sequence... [Pg.1533]

The advantages of SIMS are its high sensitivity (ppm detection limit for certain elements), its ability to detect hydrogen and the emission of molecular fragments which often bear tractable relationships with the parent... [Pg.1860]

Flehre W J, Ditchfieid R and Popie J A 1972 Self-consistent molecular-orbital methods XII. Further extension of Gaussian-type basis sets for use in molecular orbital studies of organic molecules J. Chem. Phys. 56 2257-61 Flariharan P C and Popie J A 1973 The influence of polarization functions on molecular orbital hydrogenation energies Theoret. Chim. Acta. 28 213-22... [Pg.2195]

Wiesenekker G, Kroes G J and Baerends E J 1996 An analytical six-dimensional potential energy surface for dissociation of molecular hydrogen on Cu(IOO) J. Chem. Phys. 104 7344... [Pg.2236]

Hydrogen-bonded clusters are an important class of molecular clusters, among which small water clusters have received a considerable amount of attention [148, 149]. Solvated cluster ions have also been produced and studied [150, 151]. These solvated clusters provide ideal model systems to obtain microscopic infonnation about solvation effect and its influence on chemical reactions. [Pg.2400]


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A Molecular Orbital Model of the Hydrogen Bond

Activation of molecular hydrogen

Activation of molecular hydrogen by homogenous

Adsorption of molecular hydrogen

Anodic Oxidation of Molecular Hydrogen at Low Temperatures

Atomic and Molecular Hydrogen

Atomic-molecular hydrogen interaction

Capsules molecular hydrogen-bonded

Carbon molecular sieve hydrogen separation

Carbon-oxygen double bonds molecular hydrogen

Comparison of molecular oxygen and hydrogen halide excitation

Covalent compounds molecular hydrogen

Diffusion of Molecular Hydrogen

Dissolved Molecular Hydrogen

Effect of Hydrogen Bonding on Molecular Structure

Electrostatic potential, molecular interactive hydrogen bond acceptor

Fluorine with molecular hydrogen

Helical hydrogen-bonded molecular

Homogeneous catalysis molecular hydrogen

How to Gain Structural Information from Molecular Formulas and the Index of Hydrogen Deficiency

Hydrides synthesis from molecular hydrogen

Hydrocarbon hydrogenation, molecular

Hydrocarbon hydrogenation, molecular reaction model

Hydrogen Bonded Network Structures Constructed from Molecular Hosts Hardie

Hydrogen Bonding Models in Molecular Mechanics

Hydrogen Bonding and Molecular Packing

Hydrogen Bonding and Molecular Packing in Multi-functional Crystal Structures

Hydrogen Bonding between Molecular Chains

Hydrogen Bonding in Molecular Mechanics

Hydrogen Storage in Mesoporous Molecular Sieves and Pillared Clays

Hydrogen Storage in Molecular Form

Hydrogen atom molecular orbital theory

Hydrogen bond defects molecular structure

Hydrogen bond molecular orbital

Hydrogen bonded molecular complexes

Hydrogen bonded molecular complexes level

Hydrogen bonding Born-Oppenheimer molecular

Hydrogen bonding and molecular

Hydrogen bonding and molecular recognition

Hydrogen bonding from molecular orbitals

Hydrogen bonding molecular associations

Hydrogen bonding molecular electrostatic potentials

Hydrogen bonding molecular modelling

Hydrogen bonding molecular orbitals

Hydrogen bonding molecular recognition

Hydrogen bonding molecular surfaces

Hydrogen bonding unsymmetrical, molecular

Hydrogen bonding, semiempirical molecular orbital theory

Hydrogen bonds molecular associates

Hydrogen bonds molecular clustering

Hydrogen bonds molecular modeling

Hydrogen bonds molecular packing

Hydrogen bonds semiempirical molecular orbital

Hydrogen bonds/bonding molecular recognition processes

Hydrogen chloride molecular mass

Hydrogen chloride molecular sieve

Hydrogen chloride, molecular orbitals

Hydrogen cyanide bonding molecular orbitals

Hydrogen fluoride molecular orbitals

Hydrogen fluoride molecular structure

Hydrogen frontier molecular orbitals

Hydrogen halides, molecular elimination

Hydrogen in molecular form

Hydrogen molecular bond energy

Hydrogen molecular bond energy structure

Hydrogen molecular clouds

Hydrogen molecular complex ions

Hydrogen molecular crystal

Hydrogen molecular exchange reaction

Hydrogen molecular ion

Hydrogen molecular mass

Hydrogen molecular models

Hydrogen molecular orbital

Hydrogen molecular orbital scheme

Hydrogen molecular orbital theory

Hydrogen molecular sieve

Hydrogen molecular speed

Hydrogen molecular structure

Hydrogen molecular view

Hydrogen molecular, reaction with

Hydrogen molecular, reaction with ruthenium complexes

Hydrogen molecule molecular orbital

Hydrogen molecule molecular structure

Hydrogen molecule, bond length molecular orbitals

Hydrogen molecule, molecular orbitals

Hydrogen peroxide molecular model

Hydrogen sulfide molecular coordination

Hydrogen sulfide molecular properties

Hydrogen transfer in molecular system

Hydrogen, atom, quantum state molecular

Hydrogen, molecular

Hydrogen, molecular

Hydrogen, molecular bonding

Hydrogen, molecular chains, application

Hydrogen, molecular elimination, from

Hydrogen, molecular orbital structure

Hydrogen, molecular transfers

Hydrogen, molecular, interaction with

Hydrogen, molecular, interaction with hydrocarbon species

Hydrogen, molecular, irradiated

Hydrogen-bonded molecular aggregates

Hydrogen-bonded molecular aggregates characterization

Hydrogen-bonded molecular aggregates design

Hydrogen-bonded molecular aggregates solubility

Hydrogen-bonded molecular aggregates symmetry

Hydrogen-bonded molecular clusters

Hydrogen-suppressed molecular graph

Hydrogenation mechanisms molecular hydrogen, activation

Hydrogenation molecular

Hydrogenation molecular sources

Hydrogenous films, molecular vibrations

Hydroxyl radical molecular hydrogen

Inelastic neutron scattering from molecular hydrogen trapped on surfaces

Insulating molecular hydrogen

Inter- and intra-molecular hydrogen bond

Interstellar medium molecular hydrogen formation

Intra-molecular hydrogen bonding

Intramolecular hydrogen bonds molecular packing

Introduction hydrogen, molecular

Ketones asymmetric hydrogenation, molecular

Liquid-Phase Oxidations with Hydrogen Peroxide and Molecular Oxygen Catalyzed by Polyoxometalate-Based Compounds

Metastable molecular hydrogen reactions

Model molecular adsorption, hydrogen

Molecular Hydrogen and Collisional-Radiative Modeling

Molecular Orbitals for the Hydrogen Molecule-ion

Molecular Repulsions, Attractions, and Hydrogen Bonding

Molecular adsorption hydrogen

Molecular cluster model hydrogen bondings

Molecular clustering, hydrogen bonds cluster formation

Molecular clusters hydrogen bonding

Molecular descriptor hydrogen-bonding donor atoms

Molecular dynamic simulations hydrogen bonds

Molecular function hydrogen transmission

Molecular hydrogen and

Molecular hydrogen bond

Molecular hydrogen complexes

Molecular hydrogen contour plots

Molecular hydrogen desorbed distributions

Molecular hydrogen diffraction intensity

Molecular hydrogen diffusion

Molecular hydrogen dissociative chemisorption

Molecular hydrogen elimination

Molecular hydrogen formation

Molecular hydrogen formation, interstellar

Molecular hydrogen generation

Molecular hydrogen melting temperature

Molecular hydrogen motional narrowing

Molecular hydrogen orientationally ordered

Molecular hydrogen potential energy surfaces

Molecular hydrogen sticking coefficient

Molecular hydrogen storage

Molecular hydrogen, activation

Molecular hydrogen, activation routes

Molecular hydrogen, carbon-oxygen

Molecular hydrogen, carbon-oxygen double bond hydrogenation

Molecular hydrogen, coordinate bond

Molecular hydrogen, coordination

Molecular hydrogen, coordination compound

Molecular hydrogen, photoproduction

Molecular hydrogen-bonding interactions

Molecular interactions hydrogen bond

Molecular mechanics hydrogen bonding

Molecular mechanics hydrogen bonding potentials

Molecular mechanics hydrogen-bonding interactions

Molecular modelling hydrogen bonding potential

Molecular orbital hydrogen bonding

Molecular orbital model hydrogen

Molecular orbital of hydrogen

Molecular orbital theory hydrogen molecule

Molecular orbitals hydrogen

Molecular orbitals hydrogen molecule, antibonding

Molecular orbitals in hydrogen

Molecular orbitals of hydrogen

Molecular orbitals the hydrogen molecule ion

Molecular self-assembly, directional hydrogen bonding

Molecular sieves hydrogen purification with

Molecular structure hydrogen bonding

Molecular structure hydrogen bonds

Molecular structure intermolecular hydrogen bonding

Molecular weight hydrogen peroxide

Orientational order molecular structure hydrogen bonds

Oxidative addition of molecular hydrogen to low valent

Polyethylene molecular weight, hydrogen effect

Proton transfer, hydrogen bonds molecular associates

Proton transfer, hydrogen bonds molecular clustering

Reaction between Molecular Hydrogen and Chlorine

Reaction between Molecular Hydrogen and Iodine

Reducing molecular hydrogen

Reduction with Molecular Hydrogen

Role of Molecular Hydrogen in Recombination (MAR)

Rydberg states molecular hydrogen

Self-assembled molecular cages hydrogen bonded capsules

Sticking molecular hydrogen

Supported Molecular Iridium Clusters for Ethylene Hydrogenation

Systems magnetic resonance molecular hydrogen

Tetrahedral molecular structure hydrogen bonds

The Hydrogen Molecule Molecular Orbitals

The Role of Hydrogen Bonding in Molecular Assemblies

The hydrogen molecular ion energy consideration

The hydrogen molecular ion wavefunctions

The molecular structure of hydrogen peroxide, HOOH

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