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Molden: a pre- and post-processing program for molecular and electronic structures

Journal of computer-aided molecular design, 2000-02, Vol.14 (2), p.123-134

2000

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The effect of isodensity surface sampling on ESP derived charges and the effect of adding bondcenters on DMA derived charges

Journal of computer-aided molecular design, 2000-04, Vol.14 (3), p.233-242

2000

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A molecular dynamics approach for the generation of complete protein structures from limited coordinate data

Proteins, structure, function, and bioinformatics, 1994-02, Vol.18 (2), p.174-185

1994

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A Tcl-based SRS v. 4 Interface

Bioinformatics, 1996-04, Vol.12 (2), p.151-155

1996

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Computational Chemistry Network Services and User Interfacing. 2

Journal of Chemical Information and Computer Sciences, 1998-09, Vol.38 (5), p.775-779

1998

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A study of ionic and radical reactivities of bridging sulfido ligands in dimeric cyclopentadienyl complexes of molybdenum

Organometallics, 1985-01, Vol.4 (1), p.119-129

1985

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Intermediates in the formation of gold clusters. Preparation and x-ray analysis of [Au7(PPh3)7]+ and synthesis and characterization of [Au8(PPh3)6I]PF6

Inorganic chemistry, 1984-01, Vol.23 (2), p.146-151

1984

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Nucleophilic eliminative ring fission of bridgehead substituted 1,3-bishomocubyl acetates

Tetrahedron, 1985, Vol.41 (5), p.963-973

1985

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Long-Range Strategies in the LHASA Program: The Quinone Diels−Alder Transform

Journal of Chemical Information and Computer Sciences, 1997-01, Vol.37 (1), p.98-108

1997

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Exchange interactions in tropylium bis(1,2-dicyanoethylene dithiolato) nickelate (III)

The Journal of chemical physics, 1981-02, Vol.74 (3), p.1980-1989

1981

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Preparation and x-ray structure determination of tris[bis(diphenylphosphino)methane]diiodotetragold

Inorganic chemistry, 1983-10, Vol.22 (21), p.3112-3115

1983

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Synthesis and reactivity of an unusual oxidation product of bis[(.mu.-mercapto)(.mu.-thio)cyclopentadienylmolybdenum]

Inorganic chemistry, 1988-05, Vol.27 (10), p.1736-1741

1988

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Crystal structures of monensin B lithium and silver salts

Journal of organic chemistry, 1986, Vol.51 (2), p.245-247

1986

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Synthesis and reactivity of an unusual oxidation product of [C5H5Mo(μ-S)(μ-SH)]2

Inorganic chemistry, 1988-05, Vol.27 (10), p.1736-1741

1988

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A study of sulfur ligand reactivity in dimeric dithiolate complexes of vanadium and tungsten

Organometallics, 1984-06, Vol.3 (6), p.831-840

1984

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Different coordination modes of neutral and deprotonated ZC(S)N(H)R ligands (Z = PPh2, R = Ph, Me; Z = NMe2, R = Ph) in molybdenum and tungsten complexes. X-ray structure analysis of [Mo(CO)2[Ph2PC(S)NMe][.mu.-Ph2PC(S)NMe]]2.CH2Cl2

Inorganic chemistry, 1984-08, Vol.23 (17), p.2672-2678

1984

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Expansion of the molybdenum coordination sphere in dinuclear tetrasulfur-bridged complexes with the Cp2Mo2S4 core

Journal of the American Chemical Society, 1987-01, Vol.109 (1), p.282-283

1987

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Structure of alkali biphenyl ion pairs in solution and in the solid state

Pure and applied chemistry, 1979-01, Vol.51 (1), p.73-83

1979

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Conformational analysis of functionalized sultines by nuclear magnetic resonance and x-ray crystallography. Application of a generalized Karplus equation

Journal of the American Chemical Society, 1983-08, Vol.105 (16), p.5406-5414

1983

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Structure of 11,12-dichloro-9,10-ethano-9,10-dihydro-1-anthroic acid methyl ester, C18H14Cl2O2

Acta crystallographica. Section C, Crystal structure communications, 1984-01, Vol.40 (1), p.123-125

Noordik, J. H.

1984

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Gold clusters. Tetrakis[1,3-bis(diphenylphosphino)propane]hexagold dinitrate: preparation, x-ray analysis, and gold-197 Moessbauer and phosphorus-31{proton} NMR spectra

Inorganic chemistry, 1982-12, Vol.21 (12), p.4321-4324

1982

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Chemical reaction searching compared in REACCS, SYNLIB, and ORAC

Journal of chemical information and computer sciences, 1988-08, Vol.28 (3), p.148-150

1988

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Preparation, properties, and structural studies of molybdenum and tungsten complexes with [Ph2P(S)C(S)NR]- (R = Me, Ph) or Ph2PS- ligands. X-ray structure analysis of Mo(CO)2(.eta.5-C5H5)[Ph2P(S)C(S)NPh]

Inorganic chemistry, 1984-08, Vol.23 (17), p.2678-2685

1984

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The structures of tetracyclo[4.4.0.02,8.04,7]dec-9-en-5-one 2,4-dinitrophenylhydrazone, (2), 10-bromotricyclo[5.2.1.04,8]dec-5-en-2-one, (3), and tetracyclo[5.3.0.02,5.04,8]dec-9-en-3-yl 3,5-dinitrobenzoate, (4)

Acta crystallographica. Section C, Crystal structure communications, 1985-11, Vol.41 (11), p.1638-1642

1985

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Hexachloronaphthalene-1,8-disulfide: further refinement in space group P21/n

Acta crystallographica. Section C, Crystal structure communications, 1984-09, Vol.40 (9), p.1633-1634

1984

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Molden: a pre- and post-processing program for molecular and electronic structures

The effect of isodensity surface sampling on ESP derived charges and the effect of adding bondcenters on DMA derived charges

A molecular dynamics approach for the generation of complete protein structures from limited coordinate data

A Tcl-based SRS v. 4 Interface

Computational Chemistry Network Services and User Interfacing. 2

A study of ionic and radical reactivities of bridging sulfido ligands in dimeric cyclopentadienyl complexes of molybdenum

Intermediates in the formation of gold clusters. Preparation and x-ray analysis of [Au7(PPh3)7]+ and synthesis and characterization of [Au8(PPh3)6I]PF6

Nucleophilic eliminative ring fission of bridgehead substituted 1,3-bishomocubyl acetates

Long-Range Strategies in the LHASA Program: The Quinone Diels−Alder Transform

Exchange interactions in tropylium bis(1,2-dicyanoethylene dithiolato) nickelate (III)

Preparation and x-ray structure determination of tris[bis(diphenylphosphino)methane]diiodotetragold

Synthesis and reactivity of an unusual oxidation product of bis[(.mu.-mercapto)(.mu.-thio)cyclopentadienylmolybdenum]

Crystal structures of monensin B lithium and silver salts

Synthesis and reactivity of an unusual oxidation product of [C5H5Mo(μ-S)(μ-SH)]2

A study of sulfur ligand reactivity in dimeric dithiolate complexes of vanadium and tungsten

Different coordination modes of neutral and deprotonated ZC(S)N(H)R ligands (Z = PPh2, R = Ph, Me; Z = NMe2, R = Ph) in molybdenum and tungsten complexes. X-ray structure analysis of [Mo(CO)2[Ph2PC(S)NMe][.mu.-Ph2PC(S)NMe]]2.CH2Cl2

Expansion of the molybdenum coordination sphere in dinuclear tetrasulfur-bridged complexes with the Cp2Mo2S4 core

Structure of alkali biphenyl ion pairs in solution and in the solid state

Conformational analysis of functionalized sultines by nuclear magnetic resonance and x-ray crystallography. Application of a generalized Karplus equation

Structure of 11,12-dichloro-9,10-ethano-9,10-dihydro-1-anthroic acid methyl ester, C18H14Cl2O2

Gold clusters. Tetrakis[1,3-bis(diphenylphosphino)propane]hexagold dinitrate: preparation, x-ray analysis, and gold-197 Moessbauer and phosphorus-31{proton} NMR spectra

Chemical reaction searching compared in REACCS, SYNLIB, and ORAC

Preparation, properties, and structural studies of molybdenum and tungsten complexes with [Ph2P(S)C(S)NR]- (R = Me, Ph) or Ph2PS- ligands. X-ray structure analysis of Mo(CO)2(.eta.5-C5H5)[Ph2P(S)C(S)NPh]

The structures of tetracyclo[4.4.0.02,8.04,7]dec-9-en-5-one 2,4-dinitrophenylhydrazone, (2), 10-bromotricyclo[5.2.1.04,8]dec-5-en-2-one, (3), and tetracyclo[5.3.0.02,5.04,8]dec-9-en-3-yl 3,5-dinitrobenzoate, (4)

Hexachloronaphthalene-1,8-disulfide: further refinement in space group P21/n

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