Books & Articles

245 entries « 17 of 17 »


S.A.a Smith, K.E.b Hand, M.L.b Love, G.a Hill, D.H.b Magers

Conventional strain energies of azetidine and phosphetane: Can density functional theory yield reliable results? (Journal Article)

Journal of Computational Chemistry, 34 (7), pp. 558-565, 2013, ISSN: 01928651, (cited By 3).

(Abstract | Links | BibTeX | Tags: article; chemical structure; chemistry; quantum theory, azetidine; azetidine derivative; phosphorus derivative, Azetidines; Molecular Structure; Phosphorus Compounds; Quantum Theory, Density functional theory; Mean field theory; Molecular orbitals; Organic compounds, Strain energy)

W.a Kolodziejczyk, J.a Jodkowski, T.M.b d Holmes, G.A.c Hill

Conformational analysis of flephedrone using quantum mechanical models (Journal Article)

Journal of Molecular Modeling, 19 (3), pp. 1451-1458, 2013, ISSN: 16102940, (cited By 1).

(Abstract | Links | BibTeX | Tags: 2 fluoromethcathinone; 3 fluoromethcathinone; 4 fluoromethcathinone; cathinone; flephedrone; unclassified drug, Alkaloids; Amphetamines; Designer Drugs; Molecular Conformation; Propiophenones; Psychotropic Drugs; Static Electricity, article; chemical structure; conformational transition; crystal structure; density functional theory; isomerism; priority journal; quantum chemistry; quantum mechanics; static electricity; thermodynamics)

J.a b Saloni, K.b Walker, G.b Hill Jr.

Theoretical investigation on monomer and solvent selection for molecular imprinting of nitrocompounds (Journal Article)

Journal of Physical Chemistry A, 117 (7), pp. 1531-1534, 2013, ISSN: 10895639, (cited By 1).

(Abstract | Links | BibTeX | Tags: 2, 4-dinitrotoluene; 2, 4-DNT; 2, 6 dinitrotoluene (2, 6 dnt); 2-vinylpyridine; Aromatic molecules; Binding energy analysis; Dicamba; Methyl methacrylates; Molecular imprinting; Molecularly Imprinted Polymer; Nitro-compounds; Solvent effects; Solvent selection; Theoretical investigations, Acetone; Acetonitrile; Aldehydes; Binding energy; Density functional theory; Esters; Explosives detection; Herbicides; Methanol; Monomers; Phenols; Solvents, Organic solvents)

Meng-Sheng Liao, Ming-Ju Huang, John D. Watts

Factors that distort the heme structure in Heme-Nitric Oxide/OXygen-Binding (H-NOX) protein domains. A theoretical study (Journal Article)

Journal of Inorganic Biochemistry, 118 , pp. 28–38, 2013, ISSN: 01620134.

(Abstract | Links | BibTeX | Tags: )


Ali Mirchi, A. Badiei, Y. Khanyani

Study of Nickel concentration in tri-cation Zinc Phosphate Process on automotive bodies (Journal Article)

Electroplating Industry Magazine, 44 (2), 2007.

(BibTeX | Tags: )

245 entries « 17 of 17 »