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The effect of counterpoise correction and relaxation energy term to the internal rotation barriers: application to the BF3 ...NH3 and C2H4 ...SO2 dimers
Salvador Sedano, Pedro; Duran i Portas, Miquel
2011-03-25
Energia de superfície
Pertorbació (Matemàtica)
Rotació molecular
Molecular rotation
Perturbation (Mathematics)
Surface energy
Tots els drets reservats
Article
American Institute of Physics
         

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