Basis set effects in density functional calculations on the metal-ligand and metal-metal bonds of Cr(CO)(5)-CO and (CO)(5)Mn-Mn(CO)(5)

A. Rosa, A.W. Ehlers, E.J. Baerends, J.G. Snijders, G.te Velde

Research output: Contribution to journal › Article › Academic › peer-review

125 Citations (Scopus)

Original language	Dutch
Pages (from-to)	5690 - 5696
Journal	Journal of Physical Chemistry
Volume	100
Issue number	14
Publication status	Published - 1996

Handle.net

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title = "Basis set effects in density functional calculations on the metal-ligand and metal-metal bonds of Cr(CO)(5)-CO and (CO)(5)Mn-Mn(CO)(5)",

author = "A. Rosa and A.W. Ehlers and E.J. Baerends and J.G. Snijders and G.te Velde",

note = "Journal APR 4 UD604 J PHYS CHEM",

year = "1996",

language = "Dutch",

volume = "100",

pages = "5690 -- 5696",

journal = "Journal of Physical Chemistry",

issn = "0022-3654",

publisher = "AMER CHEMICAL SOC",

number = "14",

}

TY - JOUR

T1 - Basis set effects in density functional calculations on the metal-ligand and metal-metal bonds of Cr(CO)(5)-CO and (CO)(5)Mn-Mn(CO)(5)

AU - Rosa, A.

AU - Ehlers, A.W.

AU - Baerends, E.J.

AU - Snijders, J.G.

AU - Velde, G.te

N1 - Journal APR 4 UD604 J PHYS CHEM

PY - 1996

Y1 - 1996

M3 - Article

SN - 0022-3654

VL - 100

SP - 5690

EP - 5696

JO - Journal of Physical Chemistry

JF - Journal of Physical Chemistry

IS - 14

ER -