Counterpoise corrections to the interaction energy components in bimolecular complexes

Theoretica Chimica Acta

Volumn 68, Issue 4, 1985, Pages 271-283

  Cammi, R ^a   Bonaccorsi, R ^b   Tomasi, J ^c  

^a UNIVERSITY OF PARMA   (Italy)

^b CNR   (Italy)

^c UNIVERSITY OF PISA   (Italy)

Author keywords

Basis set superposition error; Counterpoise corrections; Hydrogen bond; Interaction energy decomposition

Indexed keywords

EID: 0000067541     PISSN: 00405744     EISSN: 14322234     Source Type: Journal    
DOI: 10.1007/BF00527535     Document Type: Article

References (31)

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3. ImprovedSCF interaction energy decomposition scheme corrected for basis set superposition effect
4. Guidelines for development of basis sets for the first-order intermolecular interaction energy calculations
5. Molecular Orbital Studies of Hydrogen Bonds. III. C[Double Bond]O[middle dot][middle dot][middle dot]H[Single Bond]O Hydrogen Bond in H2CO[middle dot][middle dot][middle dot]H2O and H2CO[middle dot][middle dot][middle dot]2H2O
6. A new energy decomposition scheme for molecular interactions within the Hartree-Fock approximation
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9. On a semiclassical interpretation of inter- and intramolecular interactions
10. Basis set superposition effect on difference electrostatic molecular potential contour maps