Ab initiostudy of tautomerism and of basicity center preference in histamine, from gas phase to solution-comparison with experimental data (gas phase, solution, solid state)

2003 ◽  
Vol 16 (10) ◽  
pp. 783-796 ◽  
Author(s):  
Ewa D. Raczyńska ◽  
Małgorzata Darowska ◽  
Michał K. Cyrański ◽  
Mariusz Makowski ◽  
Tomasz Rudka ◽  
...  
Keyword(s):  
Experimental Data ◽  
Solid State ◽  
Gas Phase ◽  
Phase Solution ◽  
Comparison With Experimental Data

ChemInform Abstract: 1,2-Diphenylcycloalkenes: Electronic and Geometric Structures in the Gas Phase, Solution, and Solid State.

ChemInform ◽  
1988 ◽  
Vol 19 (45) ◽  
Author(s):  
G. HOHLNEICHER ◽  
M. MUELLER ◽  
M. DEMMER ◽  
J. LEX ◽  
J. H. PENN ◽  
...  
Keyword(s):  
Solid State ◽  
Gas Phase ◽  
Geometric Structures ◽  
Phase Solution ◽  
Electronic And Geometric Structures

scholarly journals Structural diversity in the host–guest complexes of the antifolate pemetrexed with native cyclodextrins: gas phase, solution and solid state studies

2017 ◽  
Vol 13 ◽  
pp. 2252-2263 ◽  
Author(s):  
Magdalena Ceborska ◽  
Magdalena Zimnicka ◽  
Aneta Aniela Kowalska ◽  
Kajetan Dąbrowa ◽  
Barbara Repeć
Keyword(s):  
Solid State ◽  
Gas Phase ◽  
Structural Diversity ◽  
2D Nmr ◽  
Association Constants ◽  
Inclusion Type ◽  
Guest Molecules ◽  
Type Complex ◽  
The Stability ◽  
Phase Solution

The complexation of the antifolate pemetrexed (PTX) with native cyclodextrins was studied. This process, along with the findings gathered for the structurally related folic acid was treated as a model for exploiting host–guest interactions of this class of guest molecules in the gas phase, in solution and in the solid state. Mass spectrometry was employed for the investigation of the architecture and relative gas-phase stabilities of these supramolecular complexes. The mode of complexation was further tracked by 1D and 2D NMR proving the formation of the exclusion-type complex with α-CD and pseudorotaxane inclusion-type complexes with β-, and γ-CDs. UV–vis titrations at pH 7.4 gave association constants for the obtained complexes. The stability of the complexes increases in the series: α-CD/PTX < γ-CD/PTX << β-CD/PTX. The association of PTX with a monomer cyclodextrin equivalent – methyl α-D-glucopyranoside – was investigated for a deeper understanding of the type of host–guest interactions. Solid state studies of PTX/CDs were performed using FTIR–ATR and Raman spectroscopy techniques.

Gas Phase, Solution, and Solid State Alkali Ion Binding by the [NbE8]3- (E: As, Sb) Complexes: Synthesis, Structure, and Spectroscopy.

ChemInform ◽  
2004 ◽  
Vol 35 (36) ◽  
Author(s):  
Banu Kesanli ◽  
James Fettinger ◽  
Brian Scott ◽  
Bryan Eichhorn
Keyword(s):  
Solid State ◽  
Gas Phase ◽  
Ion Binding ◽  
Phase Solution ◽  
Alkali Ion

1,2-Diphenylcycloalkenes: electronic and geometric structures in the gas phase, solution, and solid state

1988 ◽  
Vol 110 (14) ◽  
pp. 4483-4494 ◽  
Author(s):  
Georg. Hohlneicher ◽  
Martin. Mueller ◽  
Monika. Demmer ◽  
Johann. Lex ◽  
John H. Penn ◽  
...  
Keyword(s):  
Solid State ◽  
Gas Phase ◽  
Geometric Structures ◽  
Phase Solution ◽  
Electronic And Geometric Structures

Gas Phase, Solution, and Solid State Alkali Ion Binding by the [NbE8]3-(E = As, Sb) Complexes:  Synthesis, Structure, and Spectroscopy

2004 ◽  
Vol 43 (13) ◽  
pp. 3840-3846 ◽  
Author(s):  
Banu Kesanli ◽  
James Fettinger ◽  
Brian Scott ◽  
Bryan Eichhorn
Keyword(s):  
Solid State ◽  
Gas Phase ◽  
Ion Binding ◽  
Phase Solution ◽  
Alkali Ion

Theoretical analysis of counter-current absorption of a poorly soluble gas based on the PDE-AD model

1986 ◽  
Vol 51 (6) ◽  
pp. 1222-1239 ◽  
Author(s):  
Pavel Moravec ◽  
Vladimír Staněk
Keyword(s):  
Experimental Data ◽  
Liquid Phase ◽  
Gas Phase ◽  
Transfer Functions ◽  
Packed Bed ◽  
Packed Bed Column ◽  
Interfacial Transport ◽  
Gaseous Component ◽  
Poorly Soluble ◽  
Counter Current

Expression have been derived in the paper for all four possible transfer functions between the inlet and the outlet gas and liquid steams under the counter-current absorption of a poorly soluble gas in a packed bed column. The transfer functions have been derived for the axially dispersed model with stagnant zone in the liquid phase and the axially dispersed model for the gas phase with interfacial transport of a gaseous component (PDE - AD). calculations with practical values of parameters suggest that only two of these transfer functions are applicable for experimental data evaluation.

Diffusion model for deposition of epitaxial GaAs layers prepared by the MOCVD method

1991 ◽  
Vol 56 (10) ◽  
pp. 2020-2029
Author(s):  
Jindřich Leitner ◽  
Petr Voňka ◽  
Josef Stejskal ◽  
Přemysl Klíma ◽  
Rudolf Hladina
Keyword(s):  
Experimental Data ◽  
Growth Rate ◽  
Kinetic Model ◽  
Gas Phase ◽  
Substrate Surface ◽  
Deposition Process ◽  
Hydrogen Atmosphere ◽  
Epitaxial Gaas ◽  
Kinetics Of ◽  
Good Agreement

The authors proposed and treated quantitatively a kinetic model for deposition of epitaxial GaAs layers prepared by reaction of trimethylgallium with arsine in hydrogen atmosphere. The transport of gallium to the surface of the substrate is considered as the controlling process. The influence of the rate of chemical reactions in the gas phase and on the substrate surface on the kinetics of the deposition process is neglected. The calculated dependence of the growth rate of the layers on the conditions of the deposition is in a good agreement with experimental data in the temperature range from 600 to 800°C.

An homogeneous growth model of gallium arsenide epitaxial layers from the gas phase

1989 ◽  
Vol 54 (11) ◽  
pp. 2933-2950
Author(s):  
Emerich Erdös ◽  
Petr Voňka ◽  
Josef Stejskal ◽  
Přemysl Klíma
Keyword(s):  
Experimental Data ◽  
Gallium Arsenide ◽  
Kinetic Study ◽  
Gas Phase ◽  
Growth Model ◽  
Epitaxial Layers ◽  
Inhomogeneous Model ◽  
Homogeneous Models ◽  
Active Centres

This paper represents a continuation and ending of the kinetic study of the gallium arsenide formation, where a so-called inhomogeneous model is proposed and quantitatively formulated in five variants, in which two kinds of active centres appear. This model is compared both with the experimental data and with the previous sequence of homogeneous models.

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