Works matching DE "CHEMISTRY mathematics"
Results: 164
M-polynomials and topological indices of hex-derived networks.
- Published in:
- Open Physics, 2018, v. 16, n. 1, p. 394, doi. 10.1515/phys-2018-0054
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- Publication type:
- Article
Principal component analysis of solvent effects on equilibria and kinetics — A hemisphere model.
- Published in:
- Canadian Journal of Chemistry, 2006, v. 84, n. 11, p. 1580, doi. 10.1139/V06-160
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- Publication type:
- Article
A Ginzburg-Landau treatment of ternary spinodal decomposition.
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- Journal of Materials Science, 2000, v. 35, n. 5, p. 1177, doi. 10.1023/A:1004728201893
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- 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
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- Publication type:
- Article
The structure and spin-states of some Fe(III) mimics of nitrile hydratase, studied by DFT and ONIOM(DFT:PM3) calculations.
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- Molecular Physics, 2005, v. 103, n. 6-8, p. 905, doi. 10.1080/00268970512331340583
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- 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
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- Publication type:
- Article
Brodie's Calculus and Chemical Classification.
- Published in:
- 2013
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- Publication type:
- Essay
Editorial 48.
- Published in:
- 2014
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- 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
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- Publication type:
- Article
Sources of error.
- Published in:
- Journal of Chemometrics, 2018, v. 32, n. 9, p. N.PAG, doi. 10.1002/cem.3017
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- Publication type:
- Article
The chemometrics revolution re-examined.
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- Journal of Chemometrics, 2017, v. 31, n. 1, p. n/a, doi. 10.1002/cem.2864
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- Publication type:
- Article
Self-defining tree-like classifiers for interpretation of Raman spectroscopic experiments.
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- Journal of Chemometrics, 2016, v. 30, n. 5, p. 268, doi. 10.1002/cem.2788
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- Publication type:
- Article
Unsupervised random forest: a tutorial with case studies.
- Published in:
- 2016
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- Publication type:
- Other
Mathematical transformations of recurrent relations for different types of homologues.
- Published in:
- Journal of Chemometrics, 2016, v. 30, n. 4, p. 217, doi. 10.1002/cem.2796
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- Publication type:
- Article
Quantitative Big Data: where chemometrics can contribute.
- Published in:
- 2015
- By:
- Publication type:
- Opinion
Issue Information.
- Published in:
- 2015
- Publication type:
- Other
Issue Information.
- Published in:
- 2014
- Publication type:
- Other
Quo vadis, chemometrics?
- Published in:
- 2014
- By:
- Publication type:
- Other
Cover picture.
- Published in:
- Journal of Chemometrics, 2014, v. 28, n. 10, p. i, doi. 10.1002/cem.2641
- Publication type:
- Article
A short history of chemometrics: a personal view.
- Published in:
- 2014
- By:
- Publication type:
- Other
Let us go back to basics.
- Published in:
- 2014
- By:
- Publication type:
- Other
Issue Information.
- Published in:
- 2014
- Publication type:
- Other
Application of Multivariate Calibration Methods for the Simultaneous Multiwavelength Spectrophotometric Determination of Fe(II), Cu(II), Zn(II), and Mn(II) in Mixtures.
- Published in:
- Analytical Letters, 2007, v. 40, n. 6, p. 1209, doi. 10.1080/00032710701297174
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- Publication type:
- Article
Evaluation of Multivariate Calibration Using a Tikhonov Regularization Approach and the Generalized Pair-Correlation Method with Nonlinear Data.
- Published in:
- Analytical Letters, 2007, v. 40, n. 6, p. 1227, doi. 10.1080/00032710701298529
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- Publication type:
- Article
Synthesising topological links.
- Published in:
- Journal of Mathematical Chemistry, 2015, v. 53, n. 1, p. 183, doi. 10.1007/s10910-014-0420-3
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- Publication type:
- Article
Modified q-deformed Tamm-Dancoff oscillators as a model for vibrations of polyatomic molecule.
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- Journal of Mathematical Chemistry, 2015, v. 53, n. 1, p. 200, doi. 10.1007/s10910-014-0421-2
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- Publication type:
- Article
Erratum to: Finding protein thermostability and spin-coupling constant using Bayesian statistics.
- Published in:
- 2015
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- Publication type:
- Erratum
Quantum similarity matrices column set as holograms of DF molecular point clouds.
- Published in:
- 2012
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- Publication type:
- Letter
A new high order two-step method with vanished phase-lag and its derivatives for the numerical integration of the Schrödinger equation.
- Published in:
- Journal of Mathematical Chemistry, 2012, v. 50, n. 9, p. 2351, doi. 10.1007/s10910-012-0035-5
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- Publication type:
- Article
Counterexamples to a proposed algorithm for Fries structures of benzenoids.
- Published in:
- Journal of Mathematical Chemistry, 2012, v. 50, n. 9, p. 2408, doi. 10.1007/s10910-012-0039-1
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- Publication type:
- Article
Drawing information from the ground state G-particle-hole matrix to study electronic excited states.
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- Journal of Mathematical Chemistry, 2012, v. 50, n. 9, p. 2478, doi. 10.1007/s10910-012-0044-4
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- Publication type:
- Article
Determining calcium carbonate neutralization kinetics from experimental laboratory data.
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- Journal of Mathematical Chemistry, 2012, v. 50, n. 9, p. 2492, doi. 10.1007/s10910-012-0045-3
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- Publication type:
- Article
Lower bound to the ground-state expectation value of a positive unbounded operator using related bounded operators.
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- Journal of Mathematical Chemistry, 2012, v. 50, n. 9, p. 2397, doi. 10.1007/s10910-012-0038-2
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- Publication type:
- Article
Counting chemical compositions using Ehrhart quasi-polynomials.
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- Journal of Mathematical Chemistry, 2012, v. 50, n. 9, p. 2446, doi. 10.1007/s10910-012-0042-6
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- Publication type:
- Article
Repeat space theory applied to carbon nanotubes and related molecular networks. III.
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- Journal of Mathematical Chemistry, 2012, v. 50, n. 9, p. 2606, doi. 10.1007/s10910-012-0050-6
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- Publication type:
- Article
On a family of differential approximations of the radiative transfer equation.
- Published in:
- Journal of Mathematical Chemistry, 2012, v. 50, n. 4, p. 689, doi. 10.1007/s10910-011-9916-2
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- Publication type:
- Article
Scaled Euclidian distances: a general dissimilarity index with a suitably defined geometrical foundation.
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- Journal of Mathematical Chemistry, 2012, v. 50, n. 4, p. 734, doi. 10.1007/s10910-011-9920-6
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- Publication type:
- Article
Symmetrical overlap transformations of function basis sets: the LCAO MO and quantum similarity practical cases.
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- Journal of Mathematical Chemistry, 2012, v. 50, n. 4, p. 741, doi. 10.1007/s10910-011-9921-5
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- Publication type:
- Article
Secondary structure elements in polylactic acid models.
- Published in:
- Journal of Mathematical Chemistry, 2012, v. 50, n. 4, p. 703, doi. 10.1007/s10910-011-9919-z
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- Publication type:
- Article
Automatic simulation of electrochemical transients by the adaptive Huber method for Volterra integral equations involving Kernel terms exp[− α( t − τ)]erex{[ β( t − τ)]} and exp[− α( t − τ)]daw {[ β( t − τ)]}
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- Journal of Mathematical Chemistry, 2012, v. 50, n. 4, p. 765, doi. 10.1007/s10910-011-9923-3
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- Publication type:
- Article
Optimization of the temple lower bound.
- Published in:
- Journal of Mathematical Chemistry, 2012, v. 50, n. 4, p. 833, doi. 10.1007/s10910-011-9927-z
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- Publication type:
- Article
The analytical determination of kinetic parameters for a bimolecular EC mechanism from chronoamperometric data.
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- Journal of Mathematical Chemistry, 2012, v. 50, n. 4, p. 805, doi. 10.1007/s10910-011-9925-1
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- Publication type:
- Article
Bohr Sommerfeld quantisation and molecular potentials.
- Published in:
- Journal of Mathematical Chemistry, 2012, v. 50, n. 4, p. 819, doi. 10.1007/s10910-011-9926-0
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- Publication type:
- Article
A probabilistic foundation for dynamical systems: theoretical background and mathematical formulation.
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- Journal of Mathematical Chemistry, 2012, v. 50, n. 4, p. 850, doi. 10.1007/s10910-011-9929-x
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- Publication type:
- Article
An improved method to measure all rate constants in the simplest enzyme kinetics model.
- Published in:
- Journal of Mathematical Chemistry, 2012, v. 50, n. 4, p. 752, doi. 10.1007/s10910-011-9922-4
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- Publication type:
- Article
A probabilistic foundation for dynamical systems: phenomenological reasoning and principal characteristics of probabilistic evolution.
- Published in:
- Journal of Mathematical Chemistry, 2012, v. 50, n. 4, p. 870, doi. 10.1007/s10910-011-9930-4
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- Publication type:
- Article
Flag graphs and their applications in mathematical chemistry for benzenoids.
- Published in:
- Journal of Mathematical Chemistry, 2012, v. 50, n. 4, p. 893, doi. 10.1007/s10910-011-9932-2
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- Publication type:
- Article
Computer science and mathematics for chemistry-related applications.
- Published in:
- 2012
- By:
- Publication type:
- Editorial
Advances in computational and mathematical chemistry.
- Published in:
- 2012
- By:
- Publication type:
- Editorial
Alternate solutions for two particular third order kinetic rate laws.
- Published in:
- Journal of Mathematical Chemistry, 2011, v. 49, n. 2, p. 328, doi. 10.1007/s10910-010-9765-4
- By:
- Publication type:
- Article