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Computational calculation of absolute aqueous pKa values for phenols

Computational and theoretical chemistry, 2013-09, Vol.1019, p.55-60

2013

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Local sequential minimization of double stranded B-DNA using Monte Carlo annealing

Journal of molecular modeling, 2004-06, Vol.10 (3), p.185-197

2004

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Conversion of (2-methyl-1-azabuta-1,3-diene)tricarbonyliron(0) complexes into tertiary (enamine)tricarbonyliron(0) complexes

Journal of organometallic chemistry, 2000-11, Vol.613 (2), p.200-207

2000

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Oxidation of 1,10-phenanthroline by tetraoxomanganate( VI ) and ( VII ). Preparation, structure and properties of 1H-cyclopenta[2,1-b:3,4-b′]dipyridine-2,5-dione

J. Chem. Soc., Perkin Trans. 1, 1992 (13), p.1601-1605

1992

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Some complex halides of vanadium(II) and vanadium(III). The crystal and molecular structure of tetrakis(methylammonium) hexachlorovanadate(III) chloride

Polyhedron, 1995-06, Vol.14 (11), p.1453-1460

1995

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Spin crossover in chromium (II) complexes and the crystal and molecular structure of the high spin form of bis [1,2-bis(diethylphosphino) ethane] di-iodochromium (II)

Journal of the Chemical Society. Chemical communications, 1989 (18), p.1322-1323

1989

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A model for the attack of a nucleophile on a nitrile group: the X-ray crystal structure of 2,2′-bipyridine-3,3′-dicarbonitrile

Journal of the Chemical Society. Chemical communications, 1991 (16), p.1135-1137

1991

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Importance of macrocyclic ring deformation in the facile aerial oxidation of phenolic porphyrins

Journal of the Chemical Society. Chemical communications, 1987 (23), p.1788-1790

1987

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Chromium( II ) complexes of o-phenylenediamine. The crystal and molecular structures of bis(o-phenylenediamine-κN)-bis(thiocyanato-κN)chromium( II ) and bis(o-phenylenediamine-κ 2 N,N′) bis(o-phenylenediamine-κN)chromium( II ) trifluoromethanesulphonate

Journal of the Chemical Society. Dalton transactions, 1991 (8), p.2045-2050

1991

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Mononuclear thiolate complexes of Mo(II) and Mo(III): x-ray crystal structure of trans-[Mo(SBu n) 2(Ph 2PCH 2CH 2PPh 2) 2]

Polyhedron, 1986, Vol.5 (1), p.369-376

1986

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Nitrogen-15 and cobalt-59 NMR study of the bent nitrosyl ligand in cobalt complexes

Inorganic chemistry, 1984-10, Vol.23 (22), p.3629-3633

1984

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The crystal and molecular structure of bis(1-methyl-1-phenylhydrazine)dichloro{1-methyl-1-phenylhydrazido(2-)}vanadium(V) chloride, a complex containing two side-on-co-ordinated hydrazine molecules

Journal of the Chemical Society. Chemical communications, 1986 (24), p.1748-1750

1986

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X-ray structural characterization and magnetic properties of a novel tetranuclear copper catecholate

Inorganic chemistry, 1987-05, Vol.26 (9), p.1457-1459

1987

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Full-strand Minimization of Single and Double Stranded B-DNA Using Monte-Carlo Annealing

Molecular simulation, 2003-09, Vol.29 (9), p.555-575

2003

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Short intermolecular S...S contacts in a reaction product from the cyclic sulfate ester of dimethyl L-tartrate and 2-thioxo-1,3-dithiole-4,5-dithiolate

Tetrahedron, 1994, Vol.50 (38), p.11205-11212

1994

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The synthesis and reactivity of a new technetium( III ) precursor. The crystal structures of [TcCl 3 (MeCN){P(C 6 H 4 Me-3) 3 } 2 ] and [Tc(bipy) 3 ] 2+ (bipy = 2,2′-bipyridine)

Journal of the Chemical Society. Dalton transactions, 1993 (3), p.461-466

1993

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Technetium diazenido-complexes. Part 2. Substitution chemistry of [TcCl(NNC6H4Cl-4)2(PPh3)2] and the synthesis of technetium diazenido-complexes directly from [NH4][TcO4]

Journal of the Chemical Society. Dalton transactions, 1994 (8), p.1251

1994

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Chelation of Group 6 metal tetracarbonyl fragments by dicobalt thioalkyne complexes

Journal of organometallic chemistry, 1993-08, Vol.455 (1), p.203-210

1993

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5,10,15,20-Mesotetrakis(3,5-di-t-butyl-4-quinomethide)porphyrinogen: a highly puckered tetrapyrrolic macrocycle from the facile aerial oxidation of a phenolic porphyrin

Journal of the Chemical Society. Chemical communications, 1989 (22), p.1751-1753

1989

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Formation of novel bidentate and crown thioether ligands via dicobalt alkyne complexes

Journal of the Chemical Society. Chemical communications, 1991 (6), p.349-351

1991

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Molecular and crystal structure of hexamethylenetetramine oxide

Journal of the Chemical Society, Perkin Transactions 2, 1979 (5), p.593

1979

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Spectral analysis and X-ray crystal structure of the chloropyridine-bis(1,3-diaminopropane)cobalt(III) cation

Polyhedron, 1996-02, Vol.15 (4), p.683-687

1996

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Synthesis and crystal structure of [{W(SEt)O(PMe 2 Ph)} 2 (µ-S)(µ-SEt) 2 ]

Journal of the Chemical Society. Dalton transactions, 1984 (11), p.2585-2587

1984

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Crystal structures and magnetic behaviour of the two forms of tetra-n-butylammonium tetraisothiocyanatochromate(II)

Journal of the Chemical Society. Dalton transactions, 1994 (9), p.1425

1994

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Preparation, properties, and crystal and molecular structures of trans-tetrakis(acetic acid)dichlorovanadium(II) and hexakis(acetic acid)vanadium(II) dibromide

Journal of the Chemical Society. Dalton transactions, 1990 (11), p.3229

1990

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Computational calculation of absolute aqueous pKa values for phenols

Local sequential minimization of double stranded B-DNA using Monte Carlo annealing

Conversion of (2-methyl-1-azabuta-1,3-diene)tricarbonyliron(0) complexes into tertiary (enamine)tricarbonyliron(0) complexes

Oxidation of 1,10-phenanthroline by tetraoxomanganate( VI ) and ( VII ). Preparation, structure and properties of 1H-cyclopenta[2,1-b:3,4-b′]dipyridine-2,5-dione

Some complex halides of vanadium(II) and vanadium(III). The crystal and molecular structure of tetrakis(methylammonium) hexachlorovanadate(III) chloride

Spin crossover in chromium (II) complexes and the crystal and molecular structure of the high spin form of bis [1,2-bis(diethylphosphino) ethane] di-iodochromium (II)

A model for the attack of a nucleophile on a nitrile group: the X-ray crystal structure of 2,2′-bipyridine-3,3′-dicarbonitrile

Importance of macrocyclic ring deformation in the facile aerial oxidation of phenolic porphyrins

Chromium( II ) complexes of o-phenylenediamine. The crystal and molecular structures of bis(o-phenylenediamine-κN)-bis(thiocyanato-κN)chromium( II ) and bis(o-phenylenediamine-κ 2 N,N′) bis(o-phenylenediamine-κN)chromium( II ) trifluoromethanesulphonate

Mononuclear thiolate complexes of Mo(II) and Mo(III): x-ray crystal structure of trans-[Mo(SBu n) 2(Ph 2PCH 2CH 2PPh 2) 2]

Nitrogen-15 and cobalt-59 NMR study of the bent nitrosyl ligand in cobalt complexes

The crystal and molecular structure of bis(1-methyl-1-phenylhydrazine)dichloro{1-methyl-1-phenylhydrazido(2-)}vanadium(V) chloride, a complex containing two side-on-co-ordinated hydrazine molecules

X-ray structural characterization and magnetic properties of a novel tetranuclear copper catecholate

Full-strand Minimization of Single and Double Stranded B-DNA Using Monte-Carlo Annealing

Short intermolecular S...S contacts in a reaction product from the cyclic sulfate ester of dimethyl L-tartrate and 2-thioxo-1,3-dithiole-4,5-dithiolate

The synthesis and reactivity of a new technetium( III ) precursor. The crystal structures of [TcCl 3 (MeCN){P(C 6 H 4 Me-3) 3 } 2 ] and [Tc(bipy) 3 ] 2+ (bipy = 2,2′-bipyridine)

Technetium diazenido-complexes. Part 2. Substitution chemistry of [TcCl(NNC6H4Cl-4)2(PPh3)2] and the synthesis of technetium diazenido-complexes directly from [NH4][TcO4]

Chelation of Group 6 metal tetracarbonyl fragments by dicobalt thioalkyne complexes

5,10,15,20-Mesotetrakis(3,5-di-t-butyl-4-quinomethide)porphyrinogen: a highly puckered tetrapyrrolic macrocycle from the facile aerial oxidation of a phenolic porphyrin

Formation of novel bidentate and crown thioether ligands via dicobalt alkyne complexes

Molecular and crystal structure of hexamethylenetetramine oxide

Spectral analysis and X-ray crystal structure of the chloropyridine-bis(1,3-diaminopropane)cobalt(III) cation

Synthesis and crystal structure of [{W(SEt)O(PMe 2 Ph)} 2 (µ-S)(µ-SEt) 2 ]

Crystal structures and magnetic behaviour of the two forms of tetra-n-butylammonium tetraisothiocyanatochromate(II)

Preparation, properties, and crystal and molecular structures of trans-tetrakis(acetic acid)dichlorovanadium(II) and hexakis(acetic acid)vanadium(II) dibromide

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