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Fungicide Metabolite MS2 Spectral Libraries for Comprehensive Human Biomonitoring

Journal of agricultural and food chemistry, 2024-08, Vol.72 (32), p.18247-18256

2024

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Evaluation of QSAR models for predicting mutagenicity: outcome of the Second Ames/QSAR international challenge project

SAR and QSAR in environmental research, 2023-12, Vol.34 (12), p.983-1001

2023

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Structural basis of protein-bound endogenous aldehydes. Chemical and immunochemical characterizations of configurational isomers of a 4-hydroxy-2-nonenal-histidine adduct

The Journal of biological chemistry, 2003-02, Vol.278 (7), p.5044

2003

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Characterization of a hydroxyl-radical-producing glycoprotein and its presumptive genes from the white-rot basidiomycete Phanerochaete chrysosporium

Journal of biotechnology, 2007-02, Vol.128 (3), p.500-511

2007

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Solvation Structure of Solvated Cu(I) Ions in Non-Aqueous Solvents as Studied by EXAFS and ab initio Molecular Orbital Methods

Zeitschrift für Naturforschung. B, A journal of chemical sciences, 1999-02, Vol.54 (2), p.193-199

1999

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Computational studies of satellite peaks of the inner-valence ionization of C2H4, C2H2 and H2S using the SAC CI method

Chemical physics, 1989-11, Vol.138 (2-3), p.277-290

1989

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Theoretical study of the reactions of pentacoordinated trigonal bipyramidal phosphorus compounds: PH5, PF5, PF4H, PF3H2, PF4CH3, PF3(CH3)2, P(O2C2H4)H3, P(OC3H6)H3, and PO5H4

Journal of the American Chemical Society, 1992-01, Vol.114 (1), p.16-27

1992

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A correlation between proton affinities and intramolecular hydrogen bonds in bifunctional organic compounds

Journal of physical chemistry (1952), 1992-12, Vol.96 (25), p.10261-10264

1992

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EXAFS and ab Initio Molecular Orbital Studies on the Structure of Solvated Silver(I) Ions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1997-04, Vol.101 (15), p.2900-2905

1997

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Sac ci calculations of the electron affinity of HCO

Chemical physics letters, 1987-08, Vol.139 (2), p.155-158

1987

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Correction. Theoretical Study of the Reactions of Pendacoordinated Trigonal-Bipyramidal Compounds: PH 5 ,PF 5 ,PF 4 H, PF 3 H 2 , PF 4 CH 3 , PF 3 (CH 3 ) 2 , P(O 2 C 2 H 4 )H 3 , P(OC 3 H 6 )H 3 , and PO 5 H 4

Journal of the American Chemical Society, 1992-05, Vol.114 (11), p.4444-4444

1992

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Correction. Theoretical Study of the Reactions of Pendacoordinated Trigonal-Bipyramidal Compounds: PH5,PF5,PF4H, PF3H2, PF4CH3, PF3(CH3)2, P(O2C2H4)H3, P(OC3H6)H3, and PO5H4

Journal of the American Chemical Society, 1992-05, Vol.114 (11), p.4444-4444

1992

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Theoretical study of reactions of pentaccordinated trigonal-bypyramidal compounds PH5, PF5, PF4H, Pf3H2, PF4CH3, PF3(CH3)2, P(O2C2H4)H3, P(OC3H6)H3, and PO5H4

Journal of the American Chemical Society, 1992, Vol.114 (1), p.16-27

1992

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Formation of the trimer ion core in the heterogeneous rare gas cluster ions

The Journal of chemical physics, 1998-04, Vol.108 (16), p.6689-6697

1998

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Ab Initio Study of Proton Affinities of Three Crown Ethers

Journal of physical chemistry (1952), 1996-05, Vol.100 (18), p.7367-7371

1996

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Computational studies of satellite peaks of the inner-valence ionization of C 2H 4, C 2H 2 and H 2S using the SAC CI method

Chemical physics, 1989, Vol.138 (2), p.277-290

1989

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Geminal Delocalization of σ-Electrons and Inverted Tetrahedral Configurations of the Bridgehead Carbons in Bicyclo[1.1.0]butane Frameworks

Journal of physical chemistry (1952), 1996-06, Vol.100 (23), p.9615-9618

1996

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Novel Regio- and Stereoselective Synthesis of 6-Substituted Pteridines and Naturally Occurring L-erythro-Biopterin

Synthesis (Stuttgart), 1992, Vol.1992 (3), p.303-308

1992

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Novel regio- and stereoselective synthesis of 6-substituted pteridines and naturally occuring L-erythro-biopterin

Synthesis (Stuttgart), 1992 (3), p.303-308

1992

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Reaction mechanism of water exchange on di- and trivalent cations of the first transition series and structural stability of seven-coordinate species

Journal of molecular structure. Theochem, 1999-04, Vol.461, p.379-390

1999

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Ab initio MO study on the potential energy surfaces of low-lying excited states of protonated Schiff base retinal

Journal of molecular structure. Theochem, 1998-09, Vol.451 (1), p.151-162

1998

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Ab initio MO study on the potential energy surfaces for twisting around the C 11C 12 bond of the protonated Schiff base of retinal

Journal of molecular structure. Theochem, 1999-04, Vol.461, p.463-471

1999

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ChemInform Abstract: Ab initio Study of Proton Affinities of Three Crown Ethers

ChemInform, 1996-08, Vol.27 (34), p.no-no

1996

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ChemInform Abstract: Effects of the π and π Orbitals of the 5-Unsaturated Substituents on the π-Facial Selectivities in the Diels-Alder Reactions of Cyclopentadienes

ChemInform, 1998-05, Vol.29 (21), p.no-no

1998

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ChemInform Abstract: A Correlation Between Proton Affinities and Intramolecular Hydrogen Bonds in Bifunctional Organic Compounds

ChemInform, 1993-04, Vol.24 (14), p.no-no

1993

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Fungicide Metabolite MS2 Spectral Libraries for Comprehensive Human Biomonitoring

Evaluation of QSAR models for predicting mutagenicity: outcome of the Second Ames/QSAR international challenge project

Structural basis of protein-bound endogenous aldehydes. Chemical and immunochemical characterizations of configurational isomers of a 4-hydroxy-2-nonenal-histidine adduct

Characterization of a hydroxyl-radical-producing glycoprotein and its presumptive genes from the white-rot basidiomycete Phanerochaete chrysosporium

Solvation Structure of Solvated Cu(I) Ions in Non-Aqueous Solvents as Studied by EXAFS and ab initio Molecular Orbital Methods

Computational studies of satellite peaks of the inner-valence ionization of C2H4, C2H2 and H2S using the SAC CI method

Theoretical study of the reactions of pentacoordinated trigonal bipyramidal phosphorus compounds: PH5, PF5, PF4H, PF3H2, PF4CH3, PF3(CH3)2, P(O2C2H4)H3, P(OC3H6)H3, and PO5H4

A correlation between proton affinities and intramolecular hydrogen bonds in bifunctional organic compounds

EXAFS and ab Initio Molecular Orbital Studies on the Structure of Solvated Silver(I) Ions

Sac ci calculations of the electron affinity of HCO

Correction. Theoretical Study of the Reactions of Pendacoordinated Trigonal-Bipyramidal Compounds: PH 5 ,PF 5 ,PF 4 H, PF 3 H 2 , PF 4 CH 3 , PF 3 (CH 3 ) 2 , P(O 2 C 2 H 4 )H 3 , P(OC 3 H 6 )H 3 , and PO 5 H 4

Correction. Theoretical Study of the Reactions of Pendacoordinated Trigonal-Bipyramidal Compounds: PH5,PF5,PF4H, PF3H2, PF4CH3, PF3(CH3)2, P(O2C2H4)H3, P(OC3H6)H3, and PO5H4

Theoretical study of reactions of pentaccordinated trigonal-bypyramidal compounds PH5, PF5, PF4H, Pf3H2, PF4CH3, PF3(CH3)2, P(O2C2H4)H3, P(OC3H6)H3, and PO5H4

Formation of the trimer ion core in the heterogeneous rare gas cluster ions

Ab Initio Study of Proton Affinities of Three Crown Ethers

Computational studies of satellite peaks of the inner-valence ionization of C 2H 4, C 2H 2 and H 2S using the SAC CI method

Geminal Delocalization of σ-Electrons and Inverted Tetrahedral Configurations of the Bridgehead Carbons in Bicyclo[1.1.0]butane Frameworks

Novel Regio- and Stereoselective Synthesis of 6-Substituted Pteridines and Naturally Occurring L-erythro-Biopterin

Novel regio- and stereoselective synthesis of 6-substituted pteridines and naturally occuring L-erythro-biopterin

Reaction mechanism of water exchange on di- and trivalent cations of the first transition series and structural stability of seven-coordinate species

Ab initio MO study on the potential energy surfaces of low-lying excited states of protonated Schiff base retinal

Ab initio MO study on the potential energy surfaces for twisting around the C 11C 12 bond of the protonated Schiff base of retinal

ChemInform Abstract: Ab initio Study of Proton Affinities of Three Crown Ethers

ChemInform Abstract: Effects of the π and π Orbitals of the 5-Unsaturated Substituents on the π-Facial Selectivities in the Diels-Alder Reactions of Cyclopentadienes

ChemInform Abstract: A Correlation Between Proton Affinities and Intramolecular Hydrogen Bonds in Bifunctional Organic Compounds

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