Theoretical studies of fine‐structure effects and long‐range forces: Potential‐energy surfaces and reactivity of O(3P)+OH(2Π)

1990 ◽  
Vol 92 (4) ◽  
pp. 2423-2439 ◽  
Author(s):  
M. M. Graff ◽  
A. F. Wagner
Keyword(s):  
Fine Structure ◽  
Potential Energy ◽  
Long Range ◽  
Potential Energy Surfaces ◽  
Theoretical Studies ◽  
Energy Surfaces

Photodissociation of (CO)+2: Theoretical studies of ground 2Bu and excited 2Bg potential energy surfaces

1987 ◽  
Vol 87 (1) ◽  
pp. 392-410 ◽  
Author(s):  
John T. Blair ◽  
James C. Weisshaar ◽  
John E. Carpenter ◽  
Frank Weinhold
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Theoretical Studies ◽  
Energy Surfaces

Potential Energy Surfaces for F−H2and Cl−H2: Long-Range Interactions and Nonadiabatic Couplings†

2001 ◽  
Vol 105 (11) ◽  
pp. 2401-2409 ◽  
Author(s):  
Vincenzo Aquilanti ◽  
Simonetta Cavalli ◽  
Fernando Pirani ◽  
Alessandro Volpi ◽  
David Cappelletti
Keyword(s):  
Potential Energy ◽  
Long Range ◽  
Potential Energy Surfaces ◽  
Long Range Interactions ◽  
Energy Surfaces

RECENT DEVELOPMENT IN THE STUDY OF SN2 REACTIONS AT HETEROATOMS AND ION PAIR SYSTEMS

2006 ◽  
Vol 05 (01) ◽  
pp. 121-140 ◽  
Author(s):  
YI REN ◽  
SAN-YAN CHU
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Ion Pair ◽  
Present Review ◽  
Theoretical Studies ◽  
Sn2 Reactions ◽  
Energy Relationships ◽  
Similarities And Differences ◽  
Energy Surfaces ◽  
Experimental And Theoretical Studies

Present review outlines the experimental and theoretical studies on the SN 2 reactions at heteroatoms ( N , O and S ) and ion pair systems in recent years, especially introduce research carried out at our group in detail. The similarities and differences between SN 2 at heteroatoms and at carbon are discussed. Some new structure–energy relationships were proposed. The accuracy of various theoretical schemes for calculating potential energy surfaces has been assessed.

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