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Full-Text Articles in Physical Sciences and Mathematics

Bis(1,2-Dihydroxy­Benzene) Hexa­Methyl­Ene­Tetra­Mine, Philias Daka, Kraig A. Wheeler Nov 2006

Bis(1,2-Dihydroxy­Benzene) Hexa­Methyl­Ene­Tetra­Mine, Philias Daka, Kraig A. Wheeler

Kraig A. Wheeler

The title binary complex, 2C6H6O2·C6H12N4, is constructed from hexa­methyl­ene­tetra­mine, positioned about a twofold symmetry operator, and 1,2-dihydroxy­benzene. Each of the four tertiary amine N atoms participates in O—H⋯N contacts that produce mol­ecular strands that propagate along the c axis.


(Acetonitrile-Κn){2-[Bis­(2-Pyridylethyl)­Amino]Ethanol-Κ4n,N′,N′′,O}Zinc(Ii) Bis­(Perchlorate) Monohydrate, Hong-Chang Liang, Marcel M. Hetu, Kraig A. Wheeler, Lev N. Zakharov, Arnold L. Rheingold Nov 2006

(Acetonitrile-Κn){2-[Bis­(2-Pyridylethyl)­Amino]Ethanol-Κ4n,N′,N′′,O}Zinc(Ii) Bis­(Perchlorate) Monohydrate, Hong-Chang Liang, Marcel M. Hetu, Kraig A. Wheeler, Lev N. Zakharov, Arnold L. Rheingold

Kraig A. Wheeler

In the title compound, [Zn(C2H3N)(C16H21N3O)](ClO4)2·H2O, the ZnII ion is coordinated by two pyridyl N atoms, one amine N atom, and an ethanol O atom from the N,N′,N′′,O-tetra­dentate 2-[bis­(2-pyridylethyl)amino]­ethanol donor ligand. The fifth coordination site is filled by an acetonitrile N atom, and there is one solvent water mol­ecule in the asymmetric unit. The 2+ charge of the cationic portion of the complex is balanced by two perchlorate counter-anions.


Anaerobic Catalytic Oxidation Of Hydrocarbons In Moving Heat Waves. Case Simulation: Propane Oxidative Dehydrogenation In A Packed Adiabatic V-Ti Oxide Catalyst Bed, Andrey N. Zagoruiko Oct 2006

Anaerobic Catalytic Oxidation Of Hydrocarbons In Moving Heat Waves. Case Simulation: Propane Oxidative Dehydrogenation In A Packed Adiabatic V-Ti Oxide Catalyst Bed, Andrey N. Zagoruiko

Andrey N Zagoruiko

The model simulation study has shown that the anaerobic process of oxidative dehydrogenation of propane under periodic alteration of feeding between propane and air may be realized in adiabatic catalyst beds in stable continuous cyclic mode in two-reactor scheme. In case of appropriate choice of process parameters (cycle duration, feeding flow rates) the process appears to be autothermal, i.e. it does not require any inlet gas preheating for stable operation. Compared to similar steady-state adiabatic process, the proposed process is characterized with much lower maximum catalyst temperatures, giving the way to process pure propane without diluting it with inert gases, …


N-(2-Aminobenzyl)-N,N-Bis(Quinolin- 2-Ylmethyl)Amine, Abhijit Mitra, Pamela J. Seaton, Kraig A. Wheeler Sep 2006

N-(2-Aminobenzyl)-N,N-Bis(Quinolin- 2-Ylmethyl)Amine, Abhijit Mitra, Pamela J. Seaton, Kraig A. Wheeler

Kraig A. Wheeler

The title new diquinaldine derivative, C27H24N4, forms mol­ecular assemblies organized by inter­molecular quinoline π–π stacking [3.356 (3) and 3.440 (3) Å] and both inter- and intra­molecular N—H⋯N hydrogen bonds [3.039 (3)–3.104 (3) Å and 129 (2)–172 (2)°]. The combination of such inter­actions provides readily definable contacts that propagate along each crystallographic axis.


Oxidative Carbonylation And Conjugated Processes With Carbon Monoxide Participation Catalyzed By Palladium Complexes (In Russian), Lev G. Bruk, Irina V. Oshanina, Sergey N. Gorodsky, Oleg N. Temkin Aug 2006

Oxidative Carbonylation And Conjugated Processes With Carbon Monoxide Participation Catalyzed By Palladium Complexes (In Russian), Lev G. Bruk, Irina V. Oshanina, Sergey N. Gorodsky, Oleg N. Temkin

Sergey N. Gorodsky

No abstract provided.


Strychninium (S)-2-(2-Bromo­Phen­Oxy)Propanoate 1.4-Hydrate, Kraig A. Wheeler, Aaron M. Lineberry Aug 2006

Strychninium (S)-2-(2-Bromo­Phen­Oxy)Propanoate 1.4-Hydrate, Kraig A. Wheeler, Aaron M. Lineberry

Kraig A. Wheeler

In the title mol­ecular salt, C21H23N2O2+·C9H8BrO3−·1.4H2O, the components are linked by inter­molecular C—O−⋯H—+N and OW—H⋯O inter­actions.


The Ultraviolet Spectrum Of The Cocl2 Radical, Studied At Vibrational And Rotational Resolution, Thomas Varberg, Philip J. Hodges, John M. Brown May 2006

The Ultraviolet Spectrum Of The Cocl2 Radical, Studied At Vibrational And Rotational Resolution, Thomas Varberg, Philip J. Hodges, John M. Brown

Thomas D. Varberg

No abstract provided.


Selective Catalytic Oxidation Of Hydrogen Sulfide For Cleanup Of Claus Tail Gases: Startup Of Industrial Installation At Omsk Refinery, Andrey N. Zagoruiko, Vladimir V. Mokrinskii, Nataly A. Chumakova, Galina A. Bukhtiarova, Sergey V. Vanag, Tatiana V. Borisova, Galina G. Isaeva, Boris G. Kozorog May 2006

Selective Catalytic Oxidation Of Hydrogen Sulfide For Cleanup Of Claus Tail Gases: Startup Of Industrial Installation At Omsk Refinery, Andrey N. Zagoruiko, Vladimir V. Mokrinskii, Nataly A. Chumakova, Galina A. Bukhtiarova, Sergey V. Vanag, Tatiana V. Borisova, Galina G. Isaeva, Boris G. Kozorog

Andrey N Zagoruiko

The presentation describes the experience of development and commercialization of the catalyst and the process for selective oxidation of H2S into sulfur, which was put into industrial operation at Omsk Refinery (Omsk, Russia) in 2004.


New Oscillating Reaction – Phenylacetylene Oxidative Carbonylation To Anhydride Of Phenylmaleic Acid (In Russian), Sergey N. Gorodsky, Olga V. Kasatkina, Lev G. Bruk, Oleg N. Temkin Feb 2006

New Oscillating Reaction – Phenylacetylene Oxidative Carbonylation To Anhydride Of Phenylmaleic Acid (In Russian), Sergey N. Gorodsky, Olga V. Kasatkina, Lev G. Bruk, Oleg N. Temkin

Sergey N. Gorodsky

No abstract provided.


Investigation Of Coke Deposition And Coke Inhibition By Organosulfur Compounds In The Pyrolysis Of Naphtha In The Jet Stirred Reactor System, D Salari, A Niaei, J Towfighi, P Panahi, Reza Nabavi Jan 2006

Investigation Of Coke Deposition And Coke Inhibition By Organosulfur Compounds In The Pyrolysis Of Naphtha In The Jet Stirred Reactor System, D Salari, A Niaei, J Towfighi, P Panahi, Reza Nabavi

Seyed Reza nabavi

No abstract provided.


Textural And Fractal Properties Of Cuo/Al2o3 Catalyst Supports, Zeljko D. Cupic Jan 2006

Textural And Fractal Properties Of Cuo/Al2o3 Catalyst Supports, Zeljko D. Cupic

Zeljko D Cupic

No abstract provided.


The Role Of Connective Tissue Growth Factor In Skeletal Growth And Development, Philadelphia University Jan 2006

The Role Of Connective Tissue Growth Factor In Skeletal Growth And Development, Philadelphia University

Philadelphia University, Jordan

No abstract provided.


A Molecular Salt Of Tricyanomethanide Anion And A N,N9- Dianisylphenazinium Dication: Cooperative Affects Of Methoxy…Methoxy And Cmn…N+ Intermolecular Contacts, Scott E. Mckay, Kraig A. Wheeler, Silas C. Blackstock Jan 2006

A Molecular Salt Of Tricyanomethanide Anion And A N,N9- Dianisylphenazinium Dication: Cooperative Affects Of Methoxy…Methoxy And Cmn…N+ Intermolecular Contacts, Scott E. Mckay, Kraig A. Wheeler, Silas C. Blackstock

Kraig A. Wheeler

A molecular salt of tricyanomethanide anion and a N,N9- dianisylphenazinium dication forms extended supramolecular assemblies that consist of unusual methoxy…methoxy and CMN…N+ intermolecular contacts.


Charge Storage Model For Hysteretic Negative-Differential Resistance In Metal-Molecule-Metal Junctions, Rebecca Hoye, R. A. Kiehl, J. D. Le, P. Candra, T. R. Hoye Jan 2006

Charge Storage Model For Hysteretic Negative-Differential Resistance In Metal-Molecule-Metal Junctions, Rebecca Hoye, R. A. Kiehl, J. D. Le, P. Candra, T. R. Hoye

Rebecca Hoye, Retired

No abstract provided.


Interaction-Induced Dipole Moment Of The Ar–H2 Dimer: Dependence On The H2 Bond Length, Robert J. Hinde Jan 2006

Interaction-Induced Dipole Moment Of The Ar–H2 Dimer: Dependence On The H2 Bond Length, Robert J. Hinde

Robert Hinde

We present ab initio calculations of the interaction-induced dipole moment of the Ar–H2 van der Waals dimer. The primary focus of our calculations is on the H2 bond length dependence of the dipole moment, which determines the intensities of both the collision-induced H2 = 1 ← 0 fundamental band in gaseous Ar–H2 mixtures and the dopant-induced H2 = 1 ← 0 absorption feature in Ar-doped solid H2 matrices. Our calculations employ large atom-centered basis sets, diffuse bond functions positioned between the two monomers, and a coupled cluster treatment of valence electron correlation; core-valence correlation …


Population Size Bias In Descendant-Weighted Diffusion Quantum Monte Carlo Simulations, G. Lee Warren, Robert Hinde Jan 2006

Population Size Bias In Descendant-Weighted Diffusion Quantum Monte Carlo Simulations, G. Lee Warren, Robert Hinde

Robert Hinde

We consider the influence of population size on the accuracy of diffusion quantum Monte Carlo simulations that employ descendant weighting or forward walking techniques to compute expectation values of observables that do not commute with the Hamiltonian. We show that for a simple model system, the d-dimensional isotropic harmonic oscillator, the population size must increase rapidly with d in order to ensure that the simulations produce accurate results. When the population size is too small, expectation values computed using descendant-weighted diffusion quantum Monte Carlo simulations exhibit significant systematic biases.


Nmr Investigations Of Natural Organic Matter In Forest Ecosystems, Chris E. Johnson Jan 2006

Nmr Investigations Of Natural Organic Matter In Forest Ecosystems, Chris E. Johnson

Chris E Johnson

No abstract provided.