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400 Publikationen

1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1640583
VINYLIDENECARBENOID - THE IMPORTANCE OF SOLVATION AND ELECTRON CORRELATION-EFFECTS ON ITS STRUCTURE
Schoeller, Wolfgang, VINYLIDENECARBENOID - THE IMPORTANCE OF SOLVATION AND ELECTRON CORRELATION-EFFECTS ON ITS STRUCTURE. CHEMICAL PHYSICS LETTERS 241 (1-2). , 1995
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897275
Comment on: A multiconfiguration time-dependent Hartree approximation based on natural single particle states
Manthe, Uwe, Comment on: A multiconfiguration time-dependent Hartree approximation based on natural single particle states. JOURNAL OF CHEMICAL PHYSICS 101 (3). , 1994
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641856
PHOSPHORUS-CONTAINING N-METHYLENEAMINE TYPE COMPOUNDS - SYNTHESIS, STRUCTURE, AND REACTIVITY
GALLIOT, C, PHOSPHORUS-CONTAINING N-METHYLENEAMINE TYPE COMPOUNDS - SYNTHESIS, STRUCTURE, AND REACTIVITY. INORGANIC CHEMISTRY 33 (26). , 1994
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1642373
ON THE ELECTRONIC-STRUCTURE OF THE CATIONS, RADICALS AND ANIONS OF H2SIP, H2PSI AND RELATED-COMPOUNDS
Schoeller, Wolfgang, ON THE ELECTRONIC-STRUCTURE OF THE CATIONS, RADICALS AND ANIONS OF H2SIP, H2PSI AND RELATED-COMPOUNDS. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 119 (1). , 1994
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644234
DONOR STABILIZATION, TRANSFER-REACTIONS, AND BONDING PROPERTIES OF A METHYLENEDIYLPHOSPHENIUM ION
DAVID, G, DONOR STABILIZATION, TRANSFER-REACTIONS, AND BONDING PROPERTIES OF A METHYLENEDIYLPHOSPHENIUM ION. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 116 (5). , 1994
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1643798
ELECTRONIC-STRUCTURE OF THE DISILENYL RADICAL-ANION
Schoeller, Wolfgang, ELECTRONIC-STRUCTURE OF THE DISILENYL RADICAL-ANION. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 7 (5). , 1994
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1642571
SPECTROSCOPIC INVESTIGATIONS ON IMINOPHOSPHANES AND METHYLENEPHOSPHANES
DAVID, G, SPECTROSCOPIC INVESTIGATIONS ON IMINOPHOSPHANES AND METHYLENEPHOSPHANES. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS 90 (18). , 1994
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1643036
P-31 SOLID-STATE NMR-STUDY OF IMINOPHOSPHINES - INFLUENCE OF ELECTRONIC-STRUCTURE AND CONFIGURATION OF THE DOUBLE-BOND ON PHOSPHORUS SHIELDING
GUDAT, D, P-31 SOLID-STATE NMR-STUDY OF IMINOPHOSPHINES - INFLUENCE OF ELECTRONIC-STRUCTURE AND CONFIGURATION OF THE DOUBLE-BOND ON PHOSPHORUS SHIELDING. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 116 (16). , 1994
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644135
ON THE ELECTRONIC HYPERSURFACE OF THE METHYLENEPHOSPHENIUM CATION
Schoeller, Wolfgang, ON THE ELECTRONIC HYPERSURFACE OF THE METHYLENEPHOSPHENIUM CATION. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 111 (). , 1994
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897260
Intersystem crossing dynamics in the spin-crossover systems [M:Fe(pic)3]Cl2.Sol (M=Mn or Zn, Sol=MeOH or EtOH)
Vef, A, Intersystem crossing dynamics in the spin-crossover systems [M:Fe(pic)3]Cl2.Sol (M=Mn or Zn, Sol=MeOH or EtOH). JOURNAL OF CHEMICAL PHYSICS 101 (11). , 1994
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897265
Time-dependent photodissociation of methyl iodide with five active modes
Hammerich, AD, Time-dependent photodissociation of methyl iodide with five active modes. JOURNAL OF CHEMICAL PHYSICS 101 (7). , 1994
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1642096
MONOMERIC TRIS(IMINO)METAPHOSPHATES
NIECKE, E, MONOMERIC TRIS(IMINO)METAPHOSPHATES. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH 33 (20). , 1994
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897271
Quantum mechanical calculations of the rate constant for the HO+H2-> H2O+H reaction: full-dimensional results and comparision to reduced dimensionality models
Manthe, Uwe, Quantum mechanical calculations of the rate constant for the HO+H2-> H2O+H reaction: full-dimensional results and comparision to reduced dimensionality models. JOURNAL OF CHEMICAL PHYSICS 101 (6). , 1994
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1645358
SMALL RING CYCLOPHOSPHENES - A THEORETICAL EVALUATION OF BONDING PROPERTIES
Schoeller, Wolfgang, SMALL RING CYCLOPHOSPHENES - A THEORETICAL EVALUATION OF BONDING PROPERTIES. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 103 (1-2). , 1993
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1645864
AZA-SUBSTITUTION VERSUS PHOSPHA-SUBSTITUTION IN CYCLOBUTADIENE - A THEORETICAL EVALUATION OF BONDING PROPERTIES
Schoeller, Wolfgang, AZA-SUBSTITUTION VERSUS PHOSPHA-SUBSTITUTION IN CYCLOBUTADIENE - A THEORETICAL EVALUATION OF BONDING PROPERTIES. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH 32 (4). , 1993
PUB | DOI | WoS
 
1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1646420
FROM COVALENT TO IONIC BONDING - SPONTANEOUS BOND-DISSOCIATION IN OXY-SUBSTITUTED IMINOPHOSPHANES
NIECKE, E, FROM COVALENT TO IONIC BONDING - SPONTANEOUS BOND-DISSOCIATION IN OXY-SUBSTITUTED IMINOPHOSPHANES. BULLETIN DE LA SOCIETE CHIMIQUE DE FRANCE 130 (1). , 1993
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1993 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1645157
PHOSPHORUS IN STRAINED RING-SYSTEMS
Schoeller, Wolfgang, PHOSPHORUS IN STRAINED RING-SYSTEMS. 77 (1-4). , 1993
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1645486
[N+2]-CYCLOADDITION REACTIONS OF THE (ARYLIMINO)PHOSPHENIUM ION, [PNAR]+ - KATIONIC PN HETEROCYCLES WITH UNUSUAL STRUCTURE AND BONDING SITUATION
DAVID, G, [N+2]-CYCLOADDITION REACTIONS OF THE (ARYLIMINO)PHOSPHENIUM ION, [PNAR]+ - KATIONIC PN HETEROCYCLES WITH UNUSUAL STRUCTURE AND BONDING SITUATION. CHEMISCHE BERICHTE-RECUEIL 126 (7). , 1993
PUB | DOI | WoS
 
1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897277
Full-dimensional quantum calculations of the rate constant for the HO+H2 -> H2O+H reaction
Manthe, Uwe, Full-dimensional quantum calculations of the rate constant for the HO+H2 -> H2O+H reaction. JOURNAL OF CHEMICAL PHYSICS 99 (12). , 1993
PUB | DOI | WoS
 
1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897284
Wavepacket Dynamics in Five Dimensions: Photodissociation of Methyl Iodide
Manthe, Uwe, Wavepacket Dynamics in Five Dimensions: Photodissociation of Methyl Iodide. CHEMICAL PHYSICS LETTERS 211 (1). , 1993
PUB | DOI | WoS
 
1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1646980
ROTATIONAL BARRIER IN PHOSPHATRIAFULVENE - AN MCSCF STUDY
Schoeller, Wolfgang, ROTATIONAL BARRIER IN PHOSPHATRIAFULVENE - AN MCSCF STUDY. JOURNAL OF COMPUTATIONAL CHEMISTRY 14 (1). , 1993
PUB | DOI | WoS
 
1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644939
ON THE ELECTRONIC HYPERSURFACE OF THE PHOSPHIRANYL CATION - A THEORETICAL-STUDY
Schoeller, Wolfgang, ON THE ELECTRONIC HYPERSURFACE OF THE PHOSPHIRANYL CATION - A THEORETICAL-STUDY. BULLETIN DE LA SOCIETE CHIMIQUE DE FRANCE 130 (5). , 1993
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897281
The Cumulative Reaction Probability as Eigenvalue Problem
Manthe, Uwe, The Cumulative Reaction Probability as Eigenvalue Problem. JOURNAL OF CHEMICAL PHYSICS 99 (5). , 1993
PUB | DOI | WoS
 
1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897287
Multiconfigurational time-dependent Hartree study of complex dynamics: Photodissociation of NO2
Manthe, Uwe, Multiconfigurational time-dependent Hartree study of complex dynamics: Photodissociation of NO2. JOURNAL OF CHEMICAL PHYSICS 97 (12). , 1992
PUB | DOI | WoS
 
1992 | Sammelwerksbeitrag | Veröffentlicht | PUB-ID: 1897838
Approximate methods for time evolution of wave packets
H.-D., Meyer, Approximate methods for time evolution of wave packets. Time-dependent Quantum Molecular Dynamics (). New York, 1992
PUB
 
1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1647965
MONOMER AND DIMER 1,3-DIAZA-2-PHOSPHAALLYLLITHIUM COMPLEXES - STRUCTURES AND AMBIDENT REACTIVITY
DETSCH, R, MONOMER AND DIMER 1,3-DIAZA-2-PHOSPHAALLYLLITHIUM COMPLEXES - STRUCTURES AND AMBIDENT REACTIVITY. CHEMISCHE BERICHTE-RECUEIL 125 (5). , 1992
PUB | DOI | WoS
 
1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1647877
BIS(METHYLENE)PHOSPHORANE AND RELATED-COMPOUNDS - ELECTROCYCLIZATION TO RING-SYSTEMS
Schoeller, Wolfgang, BIS(METHYLENE)PHOSPHORANE AND RELATED-COMPOUNDS - ELECTROCYCLIZATION TO RING-SYSTEMS. CHEMISCHE BERICHTE-RECUEIL 125 (6). , 1992
PUB | DOI | WoS
 
1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897291
Wave-packet dynamics within the multiconfigurational Hartree framework: General aspects and application to NOCl
Manthe, Uwe, Wave-packet dynamics within the multiconfigurational Hartree framework: General aspects and application to NOCl. JOURNAL OF CHEMICAL PHYSICS 97 (5). , 1992
PUB | DOI | WoS
 
1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1647154
BRIDGING IN P2R CATIONS
BUSCH, T, BRIDGING IN P2R CATIONS. CHEMICAL PHYSICS LETTERS 200 (1-2). , 1992
PUB | DOI | WoS
 
1992 | Sammelwerksbeitrag | Veröffentlicht | PUB-ID: 1897846
Femtosecond wave-packet dynamics on strongly coupled potential energy surfaces
H., Köppel, Femtosecond wave-packet dynamics on strongly coupled potential energy surfaces. Time-dependent Quantum Molecular Dynamics (). New York, 1992
PUB
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897299
Three-dimensional wave-packet dynamics on vibronically coupled dissociative potential energy surfaces
Manthe, Uwe, Three-dimensional wave-packet dynamics on vibronically coupled dissociative potential energy surfaces. CHEMICAL PHYSICS LETTERS 178 (1). , 1991
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1649855
SUBSTITUENT EFFECTS ON FOLDING IN CYCLOTETRAPHOSPHANE
Schoeller, Wolfgang, SUBSTITUENT EFFECTS ON FOLDING IN CYCLOTETRAPHOSPHANE. CHEMISCHE BERICHTE 124 (6). , 1991
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1650167
ELECTROCHEMICAL INVESTIGATIONS ON METHYLENEPHOSPHINES AND RELATED SYSTEMS
Schoeller, Wolfgang, ELECTROCHEMICAL INVESTIGATIONS ON METHYLENEPHOSPHINES AND RELATED SYSTEMS. CHEMISCHE BERICHTE 124 (3). , 1991
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1629803
ORGANOPHOSPHORUS COMPOUNDS .51. PHOSPHATRIAFULVENES - PHOSPHAALKENES WITH INVERSE ELECTRON-DENSITY
FUCHS, E, ORGANOPHOSPHORUS COMPOUNDS .51. PHOSPHATRIAFULVENES - PHOSPHAALKENES WITH INVERSE ELECTRON-DENSITY. CHEMISCHE BERICHTE-RECUEIL 124 (12). , 1991
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1649671
REDOX PROPERTIES OF DIPHOSPHANES
NIEMANN, J, REDOX PROPERTIES OF DIPHOSPHANES. CHEMISCHE BERICHTE 124 (7). , 1991
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1650298
ON THE ELECTRONIC-STRUCTURE OF PHOSPHABUTATRIENE AND RELATED PHOSPHACUMULENES - A THEORETICAL-STUDY
Schoeller, Wolfgang, ON THE ELECTRONIC-STRUCTURE OF PHOSPHABUTATRIENE AND RELATED PHOSPHACUMULENES - A THEORETICAL-STUDY. CHEMISCHE BERICHTE 124 (2). , 1991
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897295
Dissociation and predissociation on coupled electronic potential energy surfaces: A three-dimensional wave packet dynamical study
Manthe, Uwe, Dissociation and predissociation on coupled electronic potential energy surfaces: A three-dimensional wave packet dynamical study. JOURNAL OF CHEMICAL PHYSICS 95 (3). , 1991
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2357066
HEXAGONAL AND NONHEXAGONAL SUPERLATTICE STRUCTURES ON STAGE-1 ALKALI-METAL GRAPHITE-INTERCALATION COMPOUNDS STUDIED BY SCANNING TUNNELING MICROSCOPY
Anselmetti, Dario, HEXAGONAL AND NONHEXAGONAL SUPERLATTICE STRUCTURES ON STAGE-1 ALKALI-METAL GRAPHITE-INTERCALATION COMPOUNDS STUDIED BY SCANNING TUNNELING MICROSCOPY. Synthetic Metals 38 (2). , 1990
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897302
Advances in Mössbauer Emission-Spectroscopy
Spiering, H, Advances in Mössbauer Emission-Spectroscopy. HYPERFINE INTERACTIONS 53 (1-4). , 1990
PUB
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1651021
SIGMA-PUSH-PULL SUBSTITUTION IN IMINOPHOSPHANES, A THEORETICAL-STUDY
Schoeller, Wolfgang, SIGMA-PUSH-PULL SUBSTITUTION IN IMINOPHOSPHANES, A THEORETICAL-STUDY. CHEMISCHE BERICHTE 123 (8). , 1990
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1651492
DIPHOSPHINONITRENIUM AND DIPHOSPHENIUM CATIONS, JAHN-TELLER DISTORTED ALLYL SYSTEMS
Schoeller, Wolfgang, DIPHOSPHINONITRENIUM AND DIPHOSPHENIUM CATIONS, JAHN-TELLER DISTORTED ALLYL SYSTEMS. CHEMISCHE BERICHTE 123 (5). , 1990
PUB | DOI | WoS
 
1990 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1651275
SUBSTITUENT EFFECTS ON GEOMETRIES OF IMINOPHOSPHANES AND DISPHOSPHENES - THE EFFECT OF SIGMA-PUSH-PULL SUBSTITUTION
Schoeller, Wolfgang, SUBSTITUENT EFFECTS ON GEOMETRIES OF IMINOPHOSPHANES AND DISPHOSPHENES - THE EFFECT OF SIGMA-PUSH-PULL SUBSTITUTION. 49 (1-4). , 1990
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897316
The multi-configurational time-dependent Hartree approach
Meyer, HD, The multi-configurational time-dependent Hartree approach. CHEMICAL PHYSICS LETTERS 165 (1). , 1990
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897310
Dynamics on potential energy surfaces with a conical intersection: Adiabatic, intermediate, and diabatic behavior
Manthe, Uwe, Dynamics on potential energy surfaces with a conical intersection: Adiabatic, intermediate, and diabatic behavior. JOURNAL OF CHEMICAL PHYSICS 93 (3). , 1990
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897313
New method for calculating wave packet dynamics: Strongly coupled surfaces and the adiabatic basis
Manthe, Uwe, New method for calculating wave packet dynamics: Strongly coupled surfaces and the adiabatic basis. JOURNAL OF CHEMICAL PHYSICS 93 (1). , 1990
PUB | DOI | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652173
BONDING IN THE TRISMETHYLENEMETAPHOSPHATE ANION AND RELATED-COMPOUNDS - PYRAMIDALIZATION AT PHOSPHORUS, THEORETICAL AND EXPERIMENTAL INVESTIGATIONS
Schoeller, Wolfgang, BONDING IN THE TRISMETHYLENEMETAPHOSPHATE ANION AND RELATED-COMPOUNDS - PYRAMIDALIZATION AT PHOSPHORUS, THEORETICAL AND EXPERIMENTAL INVESTIGATIONS. PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS 46 (1-2). , 1989
PUB | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652560
CYCLIC AND LINEAR ANALOGS OF N2O - THEORETICAL EVALUATION OF BONDING PROPERTIES
BUSCH, T, CYCLIC AND LINEAR ANALOGS OF N2O - THEORETICAL EVALUATION OF BONDING PROPERTIES. ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS 13 (4). , 1989
PUB | DOI | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652276
UNUSUAL BONDING IN A MAIN-GROUP MULTIPLE-BONDED SYSTEM - UMBRELLA-SHAPED DIPHOSPHENES
BUSCH, T, UNUSUAL BONDING IN A MAIN-GROUP MULTIPLE-BONDED SYSTEM - UMBRELLA-SHAPED DIPHOSPHENES. INORGANIC CHEMISTRY 28 (24). , 1989
PUB | DOI | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652689
A CYCLIC 1.2-DIPHOSPHA-1.3-DIENE - SYNTHESIS, CRYSTAL-STRUCTURE AND BONDING PROPERTIES
GUTH, W, A CYCLIC 1.2-DIPHOSPHA-1.3-DIENE - SYNTHESIS, CRYSTAL-STRUCTURE AND BONDING PROPERTIES. NEW JOURNAL OF CHEMISTRY 13 (4-5). , 1989
PUB | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652383
UNUSUALLY COORDINATED PHOSPHORUS-COMPOUNDS .39. PHOSPHATRIAFULVENES - PHOSPHAALKENES WITH INVERSE ELECTRON-DENSITY
FUCHS, EPO, UNUSUALLY COORDINATED PHOSPHORUS-COMPOUNDS .39. PHOSPHATRIAFULVENES - PHOSPHAALKENES WITH INVERSE ELECTRON-DENSITY. TETRAHEDRON LETTERS 30 (38). , 1989
PUB | DOI | WoS
 

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