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407 Publikationen
2002 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1614992
Kato T, Gornitzka H, Baceiredo A, Schoeller W, Bertrand G (2002)
Synthesis and rearrangement of diphosphorus analogues of amidinium salts.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 124(11): 2506-2512.
PUB | DOI | WoS | PubMed | Europe PMC
Synthesis and rearrangement of diphosphorus analogues of amidinium salts.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 124(11): 2506-2512.
2002 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1896813
Manthe U (2002)
Reaction Rates: Accurate quantum dynamical calculations for polyatomic systems.
J. Theo. Comp. Chem. 1: 153.
PUB
Reaction Rates: Accurate quantum dynamical calculations for polyatomic systems.
J. Theo. Comp. Chem. 1: 153.
2002 | Sammelwerksbeitrag | Veröffentlicht | PUB-ID: 1897858
Manthe U (2002)
Quantum Molecular Dynamics with Wave Packets.
In: NIC Series Vol. 10: Quantum Simulations of Complex Many-Body Systems: From Theory to Algorithm s. J. G, D. M, A. M (Eds);10. Jülich: NIC: 361.
PUB
Quantum Molecular Dynamics with Wave Packets.
In: NIC Series Vol. 10: Quantum Simulations of Complex Many-Body Systems: From Theory to Algorithm s. J. G, D. M, A. M (Eds);10. Jülich: NIC: 361.
2002 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1613809
Boelsen CKG, Nieger M, Schoeller W, Zenneck U, Niecke E (2002)
From a phosphanomethanide to the methylenephosphonium ion: X-ray structures, electron transfer and computational studies.
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS 177(8-9): 2015-2015.
PUB | DOI | WoS
From a phosphanomethanide to the methylenephosphonium ion: X-ray structures, electron transfer and computational studies.
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS 177(8-9): 2015-2015.
2002 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1613816
Raab M, Sundermann A, Schick G, Nieger M, Schoeller W, Niecke E (2002)
NH-phosphanylamido- and PH-phosphoraneiminato transition-metal complexes: Syntheses, structures and computational studies.
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS 177(8-9): 2153-2154.
PUB | DOI | WoS
NH-phosphanylamido- and PH-phosphoraneiminato transition-metal complexes: Syntheses, structures and computational studies.
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS 177(8-9): 2153-2154.
2002 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1614028
Dumitrescu A, Gornitzka H, Schoeller W, Bourissou D, Bertrand G (2002)
A crystalline phosphenium salt featuring the electron-withdrawing 2,6-bis(trifluoromethyl)phenyl group.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (8): 1953-1956.
PUB | DOI | WoS
A crystalline phosphenium salt featuring the electron-withdrawing 2,6-bis(trifluoromethyl)phenyl group.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (8): 1953-1956.
2002 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1615478
Schoeller W, Grigoleit S (2002)
On the electronic structure of main group diazadiene complexes, with boron, aluminium, gallium and indium, a density functional evaluation.
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS (3): 405-409.
PUB | DOI | WoS
On the electronic structure of main group diazadiene complexes, with boron, aluminium, gallium and indium, a density functional evaluation.
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS (3): 405-409.
2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1617061
Sole S, Gornitzka H, Schoeller W, Bourissou D, Bertrand G (2001)
(Amino)(aryl)carbenes: Stable singlet carbenes featuring a spectator substituent.
SCIENCE 292(5523): 1901-1903.
PUB | DOI | WoS | PubMed | Europe PMC
(Amino)(aryl)carbenes: Stable singlet carbenes featuring a spectator substituent.
SCIENCE 292(5523): 1901-1903.
2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1617302
Raab M, Sundermann A, Schick G, Loew A, Nieger M, Schoeller W, Niecke E (2001)
(NH)-phosphanylamido- and (PH)-phosphoraneiminato transition-metal complexes: Syntheses, structures, and computational studies.
ORGANOMETALLICS 20(9): 1770-1775.
PUB | DOI | WoS
(NH)-phosphanylamido- and (PH)-phosphoraneiminato transition-metal complexes: Syntheses, structures, and computational studies.
ORGANOMETALLICS 20(9): 1770-1775.
2001 | Sammelwerksbeitrag | Veröffentlicht | PUB-ID: 1897773
Manthe U (2001)
Reaction Rates.
In: Lecture notes in Chemistry, Vol. 77: Methods in Reaction Dynamics. W. J (Ed); Berlin/Heidelberg: Springer-Verlag: 167.
PUB
Reaction Rates.
In: Lecture notes in Chemistry, Vol. 77: Methods in Reaction Dynamics. W. J (Ed); Berlin/Heidelberg: Springer-Verlag: 167.
2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897147
Bowman JM, Wang DY, Huang XC, Huarte-Larranaga F, Manthe U (2001)
The importance of an accurate CH4 vibrational partition function in full dimensionality calculations of the H+CH4 -> H2+CH3 reaction.
JOURNAL OF CHEMICAL PHYSICS 114(21): 9683-9684.
PUB | DOI | WoS
The importance of an accurate CH4 vibrational partition function in full dimensionality calculations of the H+CH4 -> H2+CH3 reaction.
JOURNAL OF CHEMICAL PHYSICS 114(21): 9683-9684.