Atomic and molecular electron affinities: photoelectron experiments and theoretical computations
JC Rienstra-Kiracofe, GS Tschumper… - Chemical …, 2002 - ACS Publications
The energy difference between an uncharged species and its negative ion, referred to as an
electron affinity (EA), is an important property of atoms and molecules. Negative ions, or …
electron affinity (EA), is an important property of atoms and molecules. Negative ions, or …
Thermochemical aspects of proton transfer in the gas phase
JF Gal, PC Maria, ED Raczyńska - Journal of mass …, 2001 - Wiley Online Library
An Erratum for this article has been published in Journal of Mass Spectrometry 36 (9) 2001,
1074 The beginning of the twentieth century saw the development of new theories of acidity …
1074 The beginning of the twentieth century saw the development of new theories of acidity …
Infrared Spectra of the Novel Ge2H2 and Ge2H4 Species and the Reactive GeH1,2,3 Intermediates in Solid Neon, Deuterium and Argon
X Wang, L Andrews, GP Kushto - The Journal of Physical …, 2002 - ACS Publications
Laser-ablated Ge atoms and H2 molecules in excess neon and argon react during
condensation to produce GeH1, 2, 3, 4 as identified from infrared spectra with D2 and HD …
condensation to produce GeH1, 2, 3, 4 as identified from infrared spectra with D2 and HD …
Molecules for materials: Germanium hydride neutrals and anions. Molecular structures, electron affinities, and thermochemistry of GeHn/GeH (n= 0–4) and Ge2Hn …
QS Li, RH Lü, Y Xie… - Journal of computational …, 2002 - Wiley Online Library
Abstract The GeHn (n= 0–4) and Ge2Hn (n= 0–6) systems have been studied systematically
by five different density functional methods. The basis sets employed are of double‐ζ plus …
by five different density functional methods. The basis sets employed are of double‐ζ plus …
Structures, thermochemistry, and electron affinities of the germanium fluorides,
Q Li, G Li, W Xu, Y Xie, HF Schaefer III - The Journal of chemical …, 1999 - pubs.aip.org
Four different density functional methods have been employed to study the molecular
structures, electron affinities, and first dissociation energies of the GeF n/GeF n−(n= 1–5) …
structures, electron affinities, and first dissociation energies of the GeF n/GeF n−(n= 1–5) …
Acidity trends in α, β-unsaturated alkanes, silanes, germanes, and stannanes
JF Gal, M Decouzon, PC Maria… - Journal of the …, 2001 - ACS Publications
The gas-phase acidity of ethyl-, vinyl-, ethynyl-, and phenyl-substituted silanes, germanes,
and stannanes has been measured by means of FT-ICR techniques. The effect of …
and stannanes has been measured by means of FT-ICR techniques. The effect of …
[HTML][HTML] Aplicação da química quântica computacional no estudo de processos químicos envolvidos em espectrometria de massas
The field of application of mass spectrometry (MS) has increased considerably due to the
development of ionization techniques. Other factors that have stimulated the use of MS are …
development of ionization techniques. Other factors that have stimulated the use of MS are …
Electron Affinity for the Most Toxic 2,3,7,8-Tetrachlorodibenzo-p-dioxin (TCDD): A Density Functional Theory Study
S Arulmozhiraja, T Fujii, H Tokiwa - The Journal of Physical …, 2000 - ACS Publications
The electron affinity (EA) of the most toxic dioxin, 2, 3, 7, 8-tetrachlorinated dibenzo-p-dioxin
(TCDD), has been obtained along with that of two other toxic TCDDs using density functional …
(TCDD), has been obtained along with that of two other toxic TCDDs using density functional …
Probing the gas-phase ion chemistry of simple Ge systems
JM Riveros - International Journal of Mass Spectrometry, 2002 - Elsevier
The present review presents a tour de force through the main aspects related to the positive
and negative ion mass spectrometry of simple Ge-containing compounds. Important …
and negative ion mass spectrometry of simple Ge-containing compounds. Important …
Cationic Germanium Fluorides: A Theoretical Investigation on the Structure, Stability, and Thermochemistry of GeFn/GeFn+ (n = 1−3)
P Antoniotti, S Borocci, N Bronzolino… - The Journal of …, 2006 - ACS Publications
The structure, harmonic frequencies, enthalpies of formation, and dissociation energies of
the GeF n+ cations (n= 1− 3) and of their neutral counterparts GeF n have been investigated …
the GeF n+ cations (n= 1− 3) and of their neutral counterparts GeF n have been investigated …