Mass Spectrometric and Quantum-Chemical Study on the Structure, Stability, and Chirality of Protonated Serine Dimers

2005 ◽  
Vol 11 (20) ◽  
pp. 5908-5916 ◽  
Author(s):  
Ferenc Pollreisz ◽  
Ágnes Gömöry ◽  
Gitta Schlosser ◽  
Károly Vékey ◽  
Iván Solt ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Mass Spectrometric ◽  
Structure Stability

HYDRATION AND DISSOCIATION OF CALCIUM HYDROXIDE IN WATER CLUSTERS: A QUANTUM CHEMICAL STUDY

2007 ◽  
Vol 06 (03) ◽  
pp. 595-609 ◽  
Author(s):  
CLARA JIAYUN MEN ◽  
FU-MING TAO
Keyword(s):  
Calcium Hydroxide ◽  
Quantum Chemical ◽  
Density Functional ◽  
Water Clusters ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Structure Stability ◽  
Water Molecules ◽  
Aerosol Formation ◽  
Hydrated Clusters

The structure, stability, and properties of the hydrated clusters of calcium hydroxide, Ca ( OH )2( H 2 O )n, n = 1–6, were investigated using density functional and ab initio quantum chemical methods. The results show that six water molecules are needed to result in the complete dissociation of Ca ( OH )2. The stable and ionic conformer of Ca ( OH )2( H 2 O )6 has C 3 symmetry. Its surprising stability and high IR activity render hydrated clusters of Ca ( OH )2 potentially significant in the nucleation of noctilucent clouds in the mesosphere. Trends in the interaction energies (ΔEe) of the complexes show that water molecules in the first shell of Ca 2+ are highly stable, further alluding to the role of hydrated Ca ( OH )2 in aerosol formation.

scholarly journals A mass spectrometric and quantum chemical study of the vaporisation of lead monoxide in a flow of gaseous arsenic and antimony trioxides

2014 ◽  
Vol 43 (14) ◽  
pp. 5401-5408 ◽  
Author(s):  
K. Kunkel ◽  
E. Milke ◽  
M. Binnewies
Keyword(s):  
Gas Phase ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Mass Spectrometric ◽  
Lead Monoxide ◽  
Ternary Oxides

Three novel ternary oxides PbAs2O4, Pb3As2O6 and PbSb2O4 were detected in the gas phase and studied experimentally and theoretically.

Calixarenes as Hosts for Ammonium Cations: A Quantum Chemical Study and Mass-Spectrometric Investigations

2006 ◽  
Vol 12 (35) ◽  
pp. 8995-9000 ◽  
Author(s):  
Alexander B. Rozhenko ◽  
Wolfgang W. Schoeller ◽  
Matthias C. Letzel ◽  
Björn Decker ◽  
Ceno Agena ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Mass Spectrometric

scholarly journals The Products of the Reactions ofo-Benzyne with Ethene, Propene, and Acetylene: A Combined Mass Spectrometric and Quantum Chemical Study

2009 ◽  
Vol 223 (4-5) ◽  
pp. 387-407 ◽  
Author(s):  
Gernot Friedrichs ◽  
Elke Goos ◽  
Joachim Gripp ◽  
Hauke Nicken ◽  
Jan-Boyke Schönborn ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Mass Spectrometric

Formation and thermodynamics of gaseous germanium and tin vanadates: a mass spectrometric and quantum chemical study

2015 ◽  
Vol 44 (21) ◽  
pp. 10014-10021 ◽  
Author(s):  
S. M. Shugurov ◽  
A. I. Panin ◽  
S. I. Lopatin ◽  
K. A. Emelyanova
Keyword(s):  
Mass Spectrometry ◽  
Quantum Chemical ◽  
Structural Parameters ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Mass Spectrometric ◽  
Knudsen Effusion ◽  
Quantum Chemical Investigation ◽  
Knudsen Effusion Mass Spectrometry ◽  
The Stability

The stability of gaseous GeV2O6and SnV2O6were confirmed by Knudsen effusion mass spectrometry. To obtain the structural parameters of these gaseous salts, a quantum chemical investigation of its molecular properties was undertaken.

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