Quantum Dynamics of Gas-Phase SN2 Reactions

ChemPhysChem ◽  
2004 ◽  
Vol 5 (5) ◽  
pp. 600-617 ◽  
Author(s):  
Stefan Schmatz
Keyword(s):  
Gas Phase ◽  
Quantum Dynamics ◽  
Sn2 Reactions

Quantum Dynamics of Gas-Phase SN2 Reactions

ChemInform ◽  
2004 ◽  
Vol 35 (36) ◽  
Author(s):  
Stefan Schmatz
Keyword(s):  
Gas Phase ◽  
Quantum Dynamics ◽  
Sn2 Reactions

scholarly journals Quantum dynamics of the ππ*/nπ* decay of the epigenetic nucleobase 1,5-dimethyl-cytosine in the gas phase

2020 ◽  
Vol 22 (45) ◽  
pp. 26525-26535
Author(s):  
Martha Yaghoubi Jouybari ◽  
Yanli Liu ◽  
Roberto Improta ◽  
Fabrizio Santoro
Keyword(s):  
Gas Phase ◽  
Quantum Dynamics ◽  
Vibrational Modes

A partial ultrafast ππ* → nπ* transfer is predicted. Many vibrational modes are activated, but oscillations of bonds and angles are quickly damped.

scholarly journals Benchmark ab Initio Energy Profiles for the Gas-Phase SN2 Reactions Y-+ CH3X → CH3Y + X-(X,Y = F,Cl,Br). Validation of Hybrid DFT Methods

2001 ◽  
Vol 105 (5) ◽  
pp. 895-904 ◽  
Author(s):  
Srinivasan Parthiban ◽  
Glênisson de Oliveira ◽  
Jan M. L. Martin
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Dft Methods ◽  
Sn2 Reactions ◽  
Energy Profiles

Photoinitiation of Gas-Phase SN2 Reactions through the Evans−Polanyi Excited State Surface

1997 ◽  
Vol 119 (21) ◽  
pp. 5067-5068 ◽  
Author(s):  
Caroline E. H. Dessent ◽  
Mark A. Johnson
Keyword(s):  
Excited State ◽  
Gas Phase ◽  
Sn2 Reactions

Gas-phase SN2 reactions at silicon and carbon centers. An experimental appraisal of theory

1976 ◽  
Vol 98 (4) ◽  
pp. 894-899 ◽  
Author(s):  
J. D. Payzant ◽  
K. Tanaka ◽  
L. D. Betowski ◽  
D. K. Bohme
Keyword(s):  
Gas Phase ◽  
Carbon Centers ◽  
Sn2 Reactions

Charge Distributions of Gas-phase SN2 Reactions: ABEEM-σπ Method Compared with Potential Acting on an Electron in a Molecule

2015 ◽  
Vol 44 (8) ◽  
pp. 1074-1076 ◽  
Author(s):  
Yanli Ding ◽  
Xiaojing Han ◽  
Changliang Sun ◽  
Jirong Mu
Keyword(s):  
Gas Phase ◽  
Sn2 Reactions ◽  
Charge Distributions
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