Works matching DE "CHEMISTRY mathematics"

Results: 166

Estimation of activity coefficients of ionic species of aqueous strong electrolytes within the extended Debye-Hückel concentration range.

Published in:

Journal of Solid State Electrochemistry, 2011, v. 15, n. 10, p. 2177, doi. 10.1007/s10008-011-1530-5

By:

Ferse, Armin

Publication type:

Article

The redox behavior of 9-nickelafluorenyl sandwich complexes.

Published in:

Journal of Solid State Electrochemistry, 2009, v. 13, n. 10, p. 1505, doi. 10.1007/s10008-009-0833-2

By:

Fulvio Rossi;
Fabrizia de Biani;
Piero Zanello;
Piotr Buchalski

Publication type:

Article

ON REVERSE DEGREE DISTANCE OF UNICYCLIC GRAPHS.

Published in:

Bulletin of the Iranian Mathematical Society, 2013, v. 39, n. 4, p. 681

By:

Z. DU;
B. ZHOU

Publication type:

Article

Simultaneous spectrophotometric determination of carbidopa and levodopa by partial least squares regression, principal component regression and least squares support vector machine methods.

Published in:

Thai Journal of Pharmaceutical Sciences, 2009, v. 33, n. 4, p. 123

By:

Kaur, Kuldeep;
Malik, Ashok Kumar;
Singh, Baldev;
Godarzi, M.

Publication type:

Article

Description of core excitations by time-dependent density functional theory with local density approximation, generalized gradient approximation, meta-generalized gradient approximation, and hybrid functionals.

Published in:

Journal of Computational Chemistry, 2007, v. 28, n. 12, p. 2067, doi. 10.1002/jcc.20724

By:

Imamura, Yutaka;
Otsuka, Takao;
Nakai, Hiromi

Publication type:

Article

Fast evaluation of scaled opposite spin second-order Møller–Plesset correlation energies using auxiliary basis expansions and exploiting sparsity.

Published in:

Journal of Computational Chemistry, 2007, v. 28, n. 12, p. 1953, doi. 10.1002/jcc.20590

By:

Jung, Yousung;
Shao, Yihan;
Head-Gordon, Martin

Publication type:

Article

Can a physics-based, all-atom potential find a protein's native structure among misfolded structures? I. Large scale AMBER benchmarking.

Published in:

Journal of Computational Chemistry, 2007, v. 28, n. 12, p. 2059, doi. 10.1002/jcc.20720

By:

Wroblewska, Liliana;
Skolnick, Jeffrey

Publication type:

Article

Selected Theorems in Chemical Graph Theory: Mathematical Chemistry Monographs, Vol. 18.

Published in:

2016

By:

Trinajstić, Nenad

Publication type:

Book Review

The Structure - Nomenclature Cycle of Chemistry.

Published in:

2011

By:

Raos, Nenad

Publication type:

Book Review

A Novel Version of the Edge-Szeged Index.

Published in:

Croatica Chemica Acta, 2011, v. 84, n. 4, p. 543, doi. 10.5562/cca1889

By:

Hui Dong;
Bo Zhou;
Trinajstić, Nenad

Publication type:

Article

Bond Additive Modeling 1. Adriatic Indices.

Published in:: Croatica Chemica Acta, 2010, v. 83, n. 3, p. 243
Publication type:: Article

Bond Additive Modeling 2. Mathematical Properties of Max-min Rodeg Index.

Published in:: Croatica Chemica Acta, 2010, v. 83, n. 3, p. 261
Publication type:: Article

Diagrammatical Approach to Molecular Symmetry and Enumeration of Stereoisomers.

Published in:

2008

By:

Trinajstić, Nenad

Publication type:

Book Review

Graph-Theoretical Matrices in Chemistry.

Published in:

2008

By:

Raos, Nenad

Publication type:

Book Review

Minimal Spectrum-Sums of Bipartite Graphs with Exactly Two Vertex-Disjoint Cycles.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 2, p. 363

By:

Fuyi Wei;
Bo Zhou;
Trinajstić, Nenad

Publication type:

Article

New Features in EXPO2007, a Program for Crystal Structure Resolution from Powder Data.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 2, p. 401

By:

Altomare, Angela;
Cuocci, Corrado;
Giacovazzo, Carmelo;
Moliterni, Anna;
Rizzi, Rosanna

Publication type:

Article

Metamict Minerals: an Insight into a Relic Crystal Structure Using XRD, Raman Spectroscopy, SAED and HRTEM.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 2, p. 391

By:

Tomaši&#x0107, Nenad;
Bermanec, Vladimir;
Gajovié, Andreja;
Linarić, Maša Rajić

Publication type:

Article

Prediction of the Number of Carbon Atoms in Various Nanostructures by Using Geometrical Approach.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 2, p. 351

By:

Sabaghian-Bidgoli, Hosein;
Vakili-Nezhaad, Gholamreza;
Vahidipour, Mehdi

Publication type:

Article

An Algorithm to Enumerate a Special Class of Digraphs: Application to Water Clusters.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 2, p. 347

By:

Vukičević, Damir;
Graovac, Ante

Publication type:

Article

Generation of the Figures of Some Fullerenes by Using L-Systems.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 2, p. 341

By:

Vahidipour, Mehdi;
Sabaghian-Bidgoli, Hosein;
Vakili-Nezhaad, Gholamreza

Publication type:

Article

Quantitative Structure-activity Relationship Modeling of Mosquito Repellents Using Calculated Descriptors.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 2, p. 333

By:

Natarajan, Ramanathan;
Basak, Subhash C.;
Mills, Denise;
Kraker, Jessica J.;
Hawkins, Douglas M.

Publication type:

Article

Bounds on the Balaban Index.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 2, p. 319

By:

Bo Zhou;
Trinajstić, Nenad

Publication type:

Article

Molecular Dynamics Study of Palladium Clusters: Size Dependent Analysis of Structural Stabilities and Energetics of Pd<sub>n</sub> (n ≤ 40) via a Lennard-Jones Type Potential.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 2, p. 289

By:

Böyükata, Mustafa;
Belchior, Jadson C.

Publication type:

Article

Determination of Chemisorption Probabilities of Hydrogen Molecules on a Nickel Surface by Artificial Neural Network.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 2, p. 305

By:

Böyükata, Mustafa;
Koçyiğit, Yücel;
Güvenç, Ziya B.

Publication type:

Article

Computing the Szeged Index of Two Type Dendrimer Nanostars.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 2, p. 299

By:

Iranmanesh, Ali;
Gholami, Nabi Allah

Publication type:

Article

The Edge Version of the Szeged Index.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 2, p. 263

By:

Gutmana, Ivan;
Ashrafi, Au Reza

Publication type:

Article

Growth in [n]helicenes.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 2, p. 247

By:

Lukšič, Primož;
Pisanski, Tomaž

Publication type:

Article

Topological Ring-Currents in Condensed Benzenoid Hydrocarbons.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 2, p. 227

By:

Mallion, R. B.

Publication type:

Article

Modelling of ICAM-1 and LFA-1 Interaction Using Molecular Recognition Theory.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 2, p. 283

By:

Štambuk, Nikola;
Konjevoda, Paško;
Vikić-Topić, Dražen;
Pokrić, Biserka

Publication type:

Article

The Edge Szeged Index of Product Graphs.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 2, p. 277

By:

Khalifeh, Mohammad Hosein;
Yousefi-Azari, Hasan;
Ashrafi, Au Reza;
Gutman, Ivan

Publication type:

Article

The Melting Points of the Inert Gas Solids.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 2, p. 273

By:

Dunne, Lawrence J.;
Murrell, John N.;
Manos, George

Publication type:

Article

Construction of Carbon Nanotube Junctions.

Published in:

Croatica Chemica Acta, 2008, v. 81, n. 2, p. 267

By:

László, István

Publication type:

Article

The Use of Near-Infrared Spectrometry in the Olive Oil Industry.

Published in:

Critical Reviews in Food Science & Nutrition, 2010, v. 50, n. 6, p. 567, doi. 10.1080/10408390802606790

By:

Armenta, S.;
Moros, J.;
Garrigues, S.;
De La Guardia, M.

Publication type:

Article

Implementation of quality control methods in conjunction with chemometrics toward authentication of dairy products.

Published in:

2005

By:

Arvanitoyannis, Ioannis S.;
Tzouros, Nikolaos E.

Publication type:

journal article

Novel quality control methods in conjunction with chemometrics (multivariate analysis) for detecting honey authenticity.

Published in:

2005

By:

Arvanitoyannis, I. S.;
Chalhoub, C.;
Gotsiou, P.;
Lydakis-Simantiris, N.;
Kefalas, P.

Publication type:

journal article

Transfer in chemistry: a study of students’ abilities in transferring mathematical knowledge to chemistry.

Published in:

International Journal of Mathematical Education in Science & Technology, 2013, v. 44, n. 1, p. 14, doi. 10.1080/0020739X.2012.690895

By:

Hoban, RichardA.;
Finlayson, OdillaE.;
Nolan, BrienC.

Publication type:

Article

Mathematics in chemistry: indeterminate forms and their meaning.

Published in:

International Journal of Mathematical Education in Science & Technology, 2011, v. 42, n. 5, p. 664, doi. 10.1080/0020739X.2010.550945

By:

Segurado, ManuelA.P.;
Silva, MargaridaF.B.;
Castro, Rita

Publication type:

Article

Mathematical Stereochemistry. By Shinsaku Fujita. De Gruyter, 2015. Pp. xviii + 437. Price EUR 129.95, USD 182.00, GBP 97.99.

Published in:

Acta Crystallographica. Section A, Foundations & Advances, 2016, v. 72, n. 5, p. 588, doi. 10.1107/S2053273316010779

By:

Chirikjian, Gregory

Publication type:

Article

Preconditioned Solver Performance with Compressed Banded Data Format in Three-Dimensional Convective Heat Transfer Simulations.

Published in:

Numerical Heat Transfer: Part A -- Applications, 2005, v. 48, n. 10, p. 965, doi. 10.1080/10407780500283366

By:

Ogedengbe, E. O. B.;
Naterer, G. F.

Publication type:

Article

The structure and spin-states of some Fe(III) mimics of nitrile hydratase, studied by DFT and ONIOM(DFT:PM3) calculations.

Published in:

Molecular Physics, 2005, v. 103, n. 6-8, p. 905, doi. 10.1080/00268970512331340583

By:

Morgado, Claudio A.;
Mcnamara, Jonathan P.;
Hillier, Ian H.;
Sundararajan, Mahesh

Publication type:

Article

Intermolecular interaction from biorthogonal orbitals: new developments.

Published in:

Molecular Physics, 2005, v. 103, n. 6-8, p. 825, doi. 10.1080/00268970512331339350

By:

Weck, Gaétan;
Kochanski, Elise;
Gouyet, Jean-François

Publication type:

Article

QSAR Study of 2-(1-Propylpiperidin-4-yl)-1H-Benzimidazole-4-Carboxamide as PARP Inhibitors for Treatment of Cancer.

Published in:

Chemical Biology & Drug Design, 2008, v. 72, n. 6, p. 575, doi. 10.1111/j.1747-0285.2008.00739.x

By:

Riahi, Siavash;
Pourbasheer, Eslam;
Dinarvand, Rassoul;
Ganjali, Mohammad Reza;
Norouzi, Parviz

Publication type:

Article

Exploring QSAR for Substituted 2-Sulfonyl-Phenyl-Indol Derivatives as Potent and Selective COX-2 Inhibitors Using Different Chemometrics Tools.

Published in:

Chemical Biology & Drug Design, 2008, v. 72, n. 6, p. 564, doi. 10.1111/j.1747-0285.2008.00735.x

By:

Khoshneviszadeh, Mehdi;
Edraki, Najmeh;
Miri, Ramin;
Hemmateenejad, Bahram

Publication type:

Article

Chemometric Analysis for Pollution Source Assessment of Harbour Sediments in Arctic Locations.

Published in:

Water, Air & Soil Pollution, 2015, v. 226, n. 5, p. 1, doi. 10.1007/s11270-015-2416-4

By:

Pedersen, Kristine;
Lejon, Tore;
Jensen, Pernille;
Ottosen, Lisbeth

Publication type:

Article

Editorial 48.

Published in:

2014

By:

Scerri, Eric

Publication type:

Editorial

Mathematical Aspects of the Periodic Law.

Published in:

Foundations of Chemistry, 2007, v. 9, n. 2, p. 189, doi. 10.1007/s10698-006-9026-6

By:

Restrepo, Guillermo;
Pachón, Leonardo

Publication type:

Article

Limiting kinetic equation for describing a first-order chemical reaction with spatially nonuniform diffusion and kinetic coefficients.

Published in:

Theoretical Foundations of Chemical Engineering, 2011, v. 45, n. 6, p. 868, doi. 10.1134/S0040579511050277

By:

Moshinskii, A.

Publication type:

Article

COMPUTING OMEGA AND PI POLYNOMIALS OF GRAPHS.

Published in:

Digest Journal of Nanomaterials & Biostructures (DJNB), 2010, v. 5, n. 4, p. 843

By:

Ghorbani, M.;
Ghazi, M.

Publication type:

Article

Model Development for Semicontinuous Production of Ethylene and Norbornene Copolymers Having Uniform Composition.

Published in:

AIChE Journal, 2009, v. 55, n. 3, p. 663, doi. 10.1002/aic.11714

By:

Shaojie Liu;
Kun Cao;
Zhen Yao;
Bogeng Li;
Shiping Zhu

Publication type:

Article

Autocatalysis in Biological Systems.

Published in:

AIChE Journal, 2009, v. 55, n. 3, p. 556, doi. 10.1002/aic.11842

By:

Gadgil, Chetan J.;
Kulkarni, B. D.

Publication type:

Article