Parity-Resolved State-to-State Cross Sections for Inelastic Scattering of NOX2Π1/2(v= 20,J= 0.5,e/f) from He:  A Comparison between Crossed Molecular Beams Experiments and ab Initio Theory

1997 ◽  
Vol 101 (36) ◽  
pp. 6463-6474 ◽  
Author(s):  
Marcel Drabbels ◽  
Alec M. Wodtke ◽  
Moonbong Yang ◽  
Millard H. Alexander
Keyword(s):  
Inelastic Scattering ◽  
Ab Initio ◽  
Cross Sections ◽  
Molecular Beams ◽  
Ab Initio Theory ◽  
Crossed Molecular Beams

Metastable hydrogen atom scattering by crossed molecular beams: Total cross-sections for H(2s)–Kr, O2 and Cl2 at thermal energies

1998 ◽  
Vol 290 (1-3) ◽  
pp. 17-23 ◽  
Author(s):  
Brunetto G. Brunetti ◽  
Pietro Candori ◽  
Jaime De Andres ◽  
Stefano Falcinelli ◽  
Marta Stramaccia ◽  
...  
Keyword(s):  
Hydrogen Atom ◽  
Cross Sections ◽  
Molecular Beams ◽  
Total Cross Sections ◽  
Atom Scattering ◽  
Crossed Molecular Beams

A Crossed Molecular Beams and Ab Initio Study on the Formation of C6H3Radicals. An Interface between Resonantly Stabilized and Aromatic Radicals

2011 ◽  
Vol 115 (37) ◽  
pp. 10251-10258 ◽  
Author(s):  
R. I. Kaiser ◽  
M. Goswami ◽  
P. Maksyutenko ◽  
F. Zhang ◽  
Y. S. Kim ◽  
...  
Keyword(s):  
Ab Initio ◽  
Molecular Beams ◽  
Ab Initio Study ◽  
Aromatic Radicals ◽  
Crossed Molecular Beams

Combined Crossed Molecular Beams and Ab Initio Study of the Bimolecular Reaction of Ground State Atomic Silicon (Si; 3P) with Germane (GeH4; X1A1)

ChemPhysChem ◽  
2021 ◽  
Author(s):  
Alexander Mebel ◽  
Vladislav S. Krasnoukhov ◽  
Valeriy N. Azyazov ◽  
Srinivas Doddipatla ◽  
Zhenghai Yang ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Molecular Beams ◽  
Bimolecular Reaction ◽  
Ab Initio Study ◽  
Crossed Molecular Beams

Untangling the Chemical Dynamics of the Reaction of Boron Atoms,11B(2Pj), with Diacetylene, C4H2(X1Σg+) — A Crossed Molecular Beams and Ab Initio Study

2010 ◽  
Vol 114 (41) ◽  
pp. 10936-10943 ◽  
Author(s):  
Pavlo Maksyutenko ◽  
Fangtong Zhang ◽  
Y. Seol Kim ◽  
Ralf I. Kaiser ◽  
Shih Hua Chen ◽  
...  
Keyword(s):  
Ab Initio ◽  
Molecular Beams ◽  
Chemical Dynamics ◽  
Ab Initio Study ◽  
Crossed Molecular Beams

A combined crossed molecular beams and ab initio investigation on the formation of vinylsulfidoboron (C2H311B32S)

2014 ◽  
Vol 16 (33) ◽  
pp. 17580-17587 ◽  
Author(s):  
Tao Yang ◽  
Beni B. Dangi ◽  
Dorian S. N. Parker ◽  
Ralf I. Kaiser ◽  
Yi An ◽  
...  
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Phase Formation ◽  
Molecular Beams ◽  
Single Collision ◽  
Crossed Molecular Beams

Bimolecular gas phase formation of vinylsulfidoboron (C2H311B32S) under single collision conditions.

UV absorption of Criegee intermediates: quantitative cross sections from high-level ab initio theory

2018 ◽  
Vol 20 (9) ◽  
pp. 6421-6430 ◽  
Author(s):  
Š. Sršeň ◽  
D. Hollas ◽  
P. Slavíček
Keyword(s):  
Ab Initio ◽  
Absorption Spectra ◽  
Cross Sections ◽  
Uv Absorption ◽  
Combustion Chemistry ◽  
Uv Absorption Spectra ◽  
Criegee Intermediates ◽  
Ab Initio Theory ◽  
High Level

Criegee Intermediates (CIs) are important intermediates in atmospheric and combustion chemistry. We quantitatively model their UV absorption spectra using ab initio techniques.

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