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Volumn 102, Issue 1, 1998, Pages 260-269

Intermolecular MH⋯HR bonding in monohydride Mo and W complexes

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; ELECTROSTATICS; HYDRIDES; HYDROGEN BONDS; MOLECULAR STRUCTURE; MOLYBDENUM COMPOUNDS; NITROGEN OXIDES; POLARIZATION; PROTONS; TUNGSTEN COMPOUNDS;

EID: 0031698503     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9727106     Document Type: Article
Times cited : (88)

References (48)
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    • note
    • -6 hartree at the point that the optimization was interrupted.
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    • note
    • (a) The potential energy surface surrounding complex 13 is very flat; consequently, the search for minima is problematic. In this case, the geometry of 13 cannot be categorically defined as a minimum on the surface but would certainly be close to one.


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