About: Theoretical study of the vibrational spectra of the transition‐metal carbonyl hydrides HM(CO)5 (M=Mn, Re), H2M(CO)4 (M=Fe, Ru, Os), and HM(CO)4 (M=Co, Rh, Ir)

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About: Theoretical study of the vibrational spectra of the transition‐metal carbonyl hydrides HM(CO)5 (M=Mn, Re), H2M(CO)4 (M=Fe, Ru, Os), and HM(CO)4 (M=Co, Rh, Ir) Goto Sponge NotDistinct Permalink

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description	article (en) հոդված (hy) wetenschappelijk artikel (nl) наукова стаття, опублікована у вересні 1996 (uk) article scientifique publié en 1996 (fr) im September 1996 veröffentlichter wissenschaftlicher Artikel (de)
publication date	wds:Q57398165-8D244760-AAF4-4D2A-B8B2-D11AF249A2BE
publication date	1996-09-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q57398165-372590D5-0594-406E-A6F7-5249615AAA4E
language of work or name	English
cites work	wds:Q57398165-10473625-2323-4A78-8E4C-323039E86B4F wds:Q57398165-4796BB77-9BC0-4A6D-9B7A-173F8BE65CC8 wds:Q57398165-4F2D79F5-C4F7-4C26-B228-8D4994EEF1C0 wds:Q57398165-5DADEF09-8E3E-483E-A9B4-0F704100FC64 wds:Q57398165-82D8182A-3CF9-4215-813D-B254DF3C3731 wds:Q57398165-9ECE673F-7E22-4B6E-9F1E-6D3B4F242F8F wds:Q57398165-AC9A4C7B-1199-4B94-8964-59B246210BEC wds:Q57398165-AD48C02C-A9A6-431A-8E04-2C6C6A170B45 wds:Q57398165-ADC322AB-03E9-43EF-B44C-D75F7FBF06C7 wds:Q57398165-B0A9BC06-E4F2-4963-8453-944834DA453D wds:Q57398165-D267FE52-5508-4B8D-B594-C3ED47E8EC06 wds:Q57398165-F2776FD5-FC44-4A4E-9553-478587FB38B6 wds:Q57398165-F4B98EAA-E618-43A4-B9EB-7CB20C84199B wds:Q57398165-F5776FF1-58A8-491D-B1FA-E290A53DB9C5 wds:Q57398165-FA2FEBE3-2F9F-432D-AEAD-33C7F3190908
cites work	Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18 Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen Density-functional exchange-energy approximation with correct asymptotic behavior Electronic structure calculations on workstation computers: The program system turbomole Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I Natural population analysis Kinetic and thermodynamic acidity of hydrido transition-metal complexes. 3. Thermodynamic acidity of common mononuclear carbonyl hydrides Density-functional approximation for the correlation energy of the inhomogeneous electron gas Note on an Approximation Treatment for Many-Electron Systems Theoretical study of the vibrational spectra of the transition metal carbonyls M(CO)6 [M=Cr, Mo, W], M(CO)5 [M=Fe, Ru, Os], and M(CO)4 [M=Ni, Pd, Pt] Molecular structure of the gaseous metal carbonyl hydrides of manganese, iron, and cobalt Analytical second derivatives for effective core potentials
author name string	wds:Q57398165-F1E924D6-D866-47CA-AD7D-5D25D69C7B62
author name string	Volker Jonas
rdfs:label	Theoretical study of the vibrational spectra of the transition‐metal carbonyl hydrides HM(CO)5 (M=Mn, Re), H2M(CO)4 (M=Fe, Ru, Os), and HM(CO)4 (M=Co, Rh, Ir) (en) Theoretical study of the vibrational spectra of the transition‐metal carbonyl hydrides HM(CO)5 (M=Mn, Re), H2M(CO)4 (M=Fe, Ru, Os), and HM(CO)4 (M=Co, Rh, Ir) (nl)
skos:prefLabel	Theoretical study of the vibrational spectra of the transition‐metal carbonyl hydrides HM(CO)5 (M=Mn, Re), H2M(CO)4 (M=Fe, Ru, Os), and HM(CO)4 (M=Co, Rh, Ir) (en) Theoretical study of the vibrational spectra of the transition‐metal carbonyl hydrides HM(CO)5 (M=Mn, Re), H2M(CO)4 (M=Fe, Ru, Os), and HM(CO)4 (M=Co, Rh, Ir) (nl)
name	Theoretical study of the vibrational spectra of the transition‐metal carbonyl hydrides HM(CO)5 (M=Mn, Re), H2M(CO)4 (M=Fe, Ru, Os), and HM(CO)4 (M=Co, Rh, Ir) (en) Theoretical study of the vibrational spectra of the transition‐metal carbonyl hydrides HM(CO)5 (M=Mn, Re), H2M(CO)4 (M=Fe, Ru, Os), and HM(CO)4 (M=Co, Rh, Ir) (nl)
author	wds:Q57398165-5BBD8B81-B155-47CB-BD00-3AA1B15F7D7F
author	Walter Thiel
title	wds:Q57398165-605DE7A5-25F9-4A30-95A3-C9BFE1E000C0
title	Theoretical study of the vibrational spectra of the transition‐metal carbonyl hydrides HM(CO)5 (M=Mn, Re), H2M(CO)4 (M=Fe, Ru, Os), and HM(CO)4 (M=Co, Rh, Ir) (en)
page(s)	wds:Q57398165-3A236A82-60BC-4299-9B53-8B4272EC0C1B
page(s)	3636-3648
instance of	wds:Q57398165-7F8029EB-DF7F-4783-BC45-CFDFD7F8DEE3
instance of	scholarly article
main subject	wds:Q57398165-A9226572-2B39-497E-AC19-A832F3885E8C
main subject	transition metal
published in	wds:Q57398165-CDC7C514-B0BF-4E03-A2C6-557A341AB877
published in	Journal of Chemical Physics
issue	wds:Q57398165-5E614772-DEAA-4A57-A065-75FECDD51A64
volume	wds:Q57398165-174294A7-C538-4C65-8727-081A944959FF
issue	9
volume	105
DOI	wds:Q57398165-29A7AFD6-9D68-45A6-B4BF-B51926F02E1C
DOI	http://dx.doi.org/10.1063/1.472234
DOI	10.1063/1.472234
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57398165
is cites work of	Communication: Random phase approximation renormalized many-body perturbation theory. Anharmonic force fields from density functional theory The electronic spectroscopy of transition metal di-hydrides H2M(CO)4(M = Fe,Os): a theoretical study based on CASSCF/MS-CASPT2 and TD-DFT The combination of deconvolution and density functional theory for the mid-infrared vibrational spectra of stable and unstable rhodium carbonyl clusters Infrared laser spectroscopy of jet cooled cobalt tricarbonyl nitrosyl The rotational spectrum and theoretical study of a dinuclear complex, MnRe(CO)(10) Theoretical studies on vibrational spectra of some halides of Group IIB elements. Theoretical studies on vibrational spectra of mixed cyanide-halide complexes of platinum(IV) and palladium(IV)
is cites work of	wds:Q61057008-9A90A41C-FABF-4188-89FD-BBD6ADA2DFE0 wds:Q56657552-2306B3CE-956A-40B7-85A5-4E188AC2AAD6 wds:Q47237911-D09B37C6-793C-45AF-88C5-A29D58C166FE wds:Q80367266-7C2EF35F-A298-4180-BD52-DC76E39A6670 wds:Q78780356-8FF9DD7B-164C-44BA-9D5D-250C32B8236D wds:Q35037201-297B1A7E-5145-403A-AE98-069154114A3B wds:Q30765036-13EF7A9C-8A41-4ACE-A281-4D7691E79C80 wds:Q57398139-4780044E-A897-4732-B525-FC330C456BFA

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