Insights into the Thermal and Photochemical Reaction Mechanisms of Azidoacetonitrile. Spectroscopic and MS‐CASPT2 Calculations

ChemPhysChem ◽  
2020 ◽  
Vol 21 (11) ◽  
pp. 1126-1133 ◽  
Author(s):  
Manuel Algarra ◽  
Juan Soto
Keyword(s):  
Reaction Mechanisms ◽  
Photochemical Reaction ◽  
Caspt2 Calculations

Investigations on the Photochemical Reaction Mechanisms of Selected Dibenzoylmethane Compounds

2021 ◽  
Author(s):  
Junxiao Wang ◽  
Yan Guo ◽  
Jialin Wang ◽  
Jiani Ma
Keyword(s):  
Reaction Mechanisms ◽  
Photochemical Reaction

Ab Initio Investigation of Photochemical Reaction Mechanisms: From Isolated Molecules to Complex Environments

2012 ◽  
pp. 1359-1404 ◽  
Author(s):  
Igor Schapiro ◽  
Patrick Zakhia El-Khoury ◽  
Massimo Olivucci
Keyword(s):  
Ab Initio ◽  
Reaction Mechanisms ◽  
Photochemical Reaction ◽  
Complex Environments ◽  
Isolated Molecules

Computational Investigation of Photochemical Reaction Mechanisms

ChemInform ◽  
2006 ◽  
Vol 37 (34) ◽  
Author(s):  
Lluis Blancafort ◽  
Francois Ogliaro ◽  
Massimo Olivucci ◽  
Michael A. Robb ◽  
Michael J. Bearpark ◽  
...  
Keyword(s):  
Reaction Mechanisms ◽  
Photochemical Reaction ◽  
Computational Investigation

Ab Initio Investigation of Photochemical Reaction Mechanisms: From Isolated Molecules to Complex Environments

2016 ◽  
pp. 1-52
Author(s):  
Igor Schapiro ◽  
Patrick Zakhia El-Khoury ◽  
Massimo Olivucci
Keyword(s):  
Ab Initio ◽  
Reaction Mechanisms ◽  
Photochemical Reaction ◽  
Complex Environments ◽  
Isolated Molecules

Ab Initio Investigation of Photochemical Reaction Mechanisms: From Isolated Molecules to Complex Environments

2017 ◽  
pp. 1943-1994
Author(s):  
Igor Schapiro ◽  
Patrick Zakhia El-Khoury ◽  
Massimo Olivucci
Keyword(s):  
Ab Initio ◽  
Reaction Mechanisms ◽  
Photochemical Reaction ◽  
Complex Environments ◽  
Isolated Molecules

A comparison of two photochemical reaction mechanisms using mass balance and process analysis

1994 ◽  
Vol 28 (18) ◽  
pp. 2991-3003 ◽  
Author(s):  
Harvey E. Jeffries ◽  
Shawn Tonnesen
Keyword(s):  
Mass Balance ◽  
Reaction Mechanisms ◽  
Photochemical Reaction ◽  
Process Analysis

Photochemical reaction mechanisms of .beta.,.gamma.-unsaturated ketones. The 1,3-acetyl shift in cyclopent-2-enyl methyl ketones

1984 ◽  
Vol 106 (7) ◽  
pp. 2064-2071 ◽  
Author(s):  
David E. Sadler ◽  
Joachim Wendler ◽  
Gottfried Olbrich ◽  
Kurt Schaffner
Keyword(s):  
Reaction Mechanisms ◽  
Photochemical Reaction ◽  
Methyl Ketones ◽  
Unsaturated Ketones

SINDO1 study of photochemical reaction mechanisms of diazirines

1985 ◽  
Vol 107 (25) ◽  
pp. 7275-7284 ◽  
Author(s):  
Peter L. Mueller-Remmers ◽  
Karl Jug
Keyword(s):  
Reaction Mechanisms ◽  
Photochemical Reaction
Sign in / Sign up

Export Citation Format

Share Document