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

Original language	English
Pages (from-to)	5690-5696
Journal	Journal of Physical Chemistry
Volume	100
DOIs	https://doi.org/10.1021/jp953381p
Publication status	Published - 1996

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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)5Mn-Mn(CO)5.",

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

year = "1996",

doi = "10.1021/jp953381p",

language = "English",

volume = "100",

pages = "5690--5696",

journal = "Journal of Physical Chemistry",

issn = "0022-3654",

publisher = "American Chemical Society",

}

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)5Mn-Mn(CO)5.

AU - Rosa, A.

AU - Ehlers, A.W.

AU - Baerends, E.J.

AU - Snijders, J.G.

AU - te Velde, G.

PY - 1996

Y1 - 1996

U2 - 10.1021/jp953381p

DO - 10.1021/jp953381p

M3 - Article

SN - 0022-3654

VL - 100

SP - 5690

EP - 5696

JO - Journal of Physical Chemistry

JF - Journal of Physical Chemistry

ER -