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January 1968 |
First Structural Characterization of Binary AsIII and SbIII Azides
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January 2004 |
Electron Affinities, Fluoride Affinities, and Heats of Formation of the Second Row Transition Metal Hexafluorides: MF 6 (M = Mo, Tc, Ru, Rh, Pd, Ag)
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June 2010 |
The First Molybdenum(VI) and Tungsten(VI) Oxoazides MO 2 (N 3 ) 2 , MO 2 (N 3 ) 2 ⋅2 CH 3 CN, (bipy)MO 2 (N 3 ) 2 , and [MO 2 (N 3 ) 4 ] 2− (M=Mo, W)
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July 2015 |
Why Are [P(C 6 H 5 ) 4 ] + N 3 − and [As(C 6 H 5 ) 4 ] + N 3 − Ionic Salts and Sb(C 6 H 5 ) 4 N 3 and Bi(C 6 H 5 ) 4 N 3 Covalent Solids? A Theoretical Study Provides an Unexpected Answer
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April 2011 |
Oxidation, Reduction, and Condensation of Alcohols over (MO 3 ) 3 (M = Mo, W) Nanoclusters
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September 2014 |
Molpro: a general-purpose quantum chemistry program package: Molpro
- Werner, Hans-Joachim; Knowles, Peter J.; Knizia, Gerald
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Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 2, Issue 2
https://doi.org/10.1002/wcms.82
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July 2011 |
Preparation of the First Manganese(III) and Manganese(IV) Azides
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July 2014 |
Coordination Adducts of Niobium(V) and Tantalum(V) Azide M(N 3 ) 5 (M=Nb, Ta) with Nitrogen Donor Ligands and their Self-Ionization
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April 2014 |
Coupled cluster theory for high spin, open shell reference wave functions
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October 1993 |
A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples
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February 1982 |
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
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August 1980 |
Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y–Pd
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March 2007 |
Azide Chemistry - An Inorganic Perspective, Part I Metal Azides: Overview, General Trends and Recent Developments
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June 2013 |
COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
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January 1993 |
Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
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May 1992 |
Recent Developments in the Chemistry of Covalent Azides
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April 1997 |
Basis set limit electronic excitation energies, ionization potentials, and electron affinities for the 3d transition metal atoms: Coupled cluster and multireference methods
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August 2006 |
ShelXle : a Qt graphical user interface for SHELXL
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November 2011 |
Explosives
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July 2007 |
SHELXT – Integrated space-group and crystal-structure determination
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January 2015 |
Coupled-cluster theory in quantum chemistry
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February 2007 |
Quantum Mechanical Continuum Solvation Models
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August 2005 |
Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc–Zn
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August 2005 |
Kovalente anorganische Azide
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March 1995 |
ORTEP -3 for Windows - a version of ORTEP -III with a Graphical User Interface (GUI)
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October 1997 |
Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation
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February 1992 |
Perturbative corrections to account for triple excitations in closed and open shell coupled cluster theories
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September 1994 |
Density‐functional thermochemistry. III. The role of exact exchange
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April 1993 |
Erratum: “Coupled cluster theory for high spin, open shell reference wave functions” [ J. Chem. Phys. 99 , 5219 (1993)]
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February 2000 |
Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf–Pt
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April 2009 |
Coordination Adducts of Niobium(V) and Tantalum(V) Azide M(N 3 ) 5 (M=Nb, Ta) with Nitrogen Donor Ligands and their Self-Ionization
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April 2014 |
A short history of SHELX
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December 2007 |
Dehydration, dehydrogenation, and condensation of alcohols on supported oxide catalysts based on cyclic (WO 3 ) 3 and (MoO 3 ) 3 clusters
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January 2014 |
Crystal structure refinement with SHELXL
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January 2015 |
Polyazide Chemistry: The First Binary Group 6 Azides, Mo(N3)6, W(N3)6, [Mo(N3)7]?, and [W(N3)7]?, and the [NW(N3)4]? and [NMo(N3)4]? Ions
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March 2005 |
Polyazide Chemistry: Preparation and Characterization of As(N3)5, Sb(N3)5, and [P(C6H5)4][Sb(N3)6]
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December 2004 |
The Vanadium(V) Oxoazides [VO(N 3 ) 3 ], [(bipy)VO(N 3 ) 3 ], and [VO(N 3 ) 5 ] 2−
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June 2015 |
The First Molybdenum(VI) and Tungsten(VI) Oxoazides MO 2 (N 3 ) 2 , MO 2 (N 3 ) 2 ⋅2 CH 3 CN, (bipy)MO 2 (N 3 ) 2 , and [MO 2 (N 3 ) 4 ] 2− (M=Mo, W)
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July 2015 |
Third Row Transition Metal Hexafluorides, Extraordinary Oxidizers, and Lewis Acids: Electron Affinities, Fluoride Affinities, and Heats of Formation of WF 6 , ReF 6 , OsF 6 , IrF 6 , PtF 6 , and AuF 6 †
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February 2010 |
Tetrazido-Nitrido-Molybdat(VI); Darstellung, IR-Spektrum und Kristallstruktur von AsPh4[MoN(N3)4] / Tetrazido-nitrido-molybdate(VI); Preparation, IR Spectrum and Crystal Structure of AsPh4[MoN(N3)4]
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September 1980 |
Inorganic and Transition Metal Azides
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April 2010 |
Covalent Inorganic Azides
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March 1995 |
Preparation of the First Manganese(III) and Manganese(IV) Azides
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July 2014 |
Coupled‐cluster methods with noniterative triple excitations for restricted open‐shell Hartree–Fock and other general single determinant reference functions. Energies and analytical gradients
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June 1993 |
Note on an Approximation Treatment for Many-Electron Systems
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October 1934 |
Fluoride crystal structures. Part I. Tungsten oxide tetrafluoride
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January 1968 |
Polyazide Chemistry: Preparation and Characterization of As(N3)5, Sb(N3)5, and [P(C6H5)4][Sb(N3)6]
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December 2004 |
The Vanadium(V) Oxoazides [VO(N 3 ) 3 ], [(bipy)VO(N 3 ) 3 ], and [VO(N 3 ) 5 ] 2−
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June 2015 |
Polyazide Chemistry: The First Binary Group 6 Azides, Mo(N3)6, W(N3)6, [Mo(N3)7]?, and [W(N3)7]?, and the [NW(N3)4]? and [NMo(N3)4]? Ions
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March 2005 |