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Browse Nauki ścisłe by journal title "Journal of Mathematical Chemistry"

Now showing items 1-26 of 26

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1.

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Basis set dependence of molecular information channels and their entropic bond descriptors

Nalewajski Roman , Szczepanik Dariusz , Mrozek Janusz

Journal of Mathematical Chemistry, 2012 vol. 50 no. 6, p. 1437-1457

journal article | academic paper punktacja MEiN [2012 A]: 25
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Boys function evaluation on graphical processing units

Mazur Grzegorz , Makowski Marcin , Łazarski Roman

Journal of Mathematical Chemistry, 2016 vol. 54 no. 10, p. 2022-2047

journal article | academic paper punktacja MEiN [2016 A]: 20
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Chemical bonds from through-bridge orbital communications in prototype molecular systems

Nalewajski Roman

Journal of Mathematical Chemistry, 2011 vol. 49 no. 2, p. 546-561

journal article | academic paper punktacja MEiN [2011 A]: 25
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Communications in molecules : local and multi-configuration channels and their entropic descriptors of bond multiplicity and composition

Nalewajski Roman

Journal of Mathematical Chemistry, 2014 vol. 52 no. 1, p. 42-71

journal article | academic paper punktacja MEiN [2014 A]: 25
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Complex entropy and resultant information measures

Nalewajski Roman

Journal of Mathematical Chemistry, 2016 vol. 54 no. 9, p. 1777-1782

journal article | academic paper punktacja MEiN [2016 A]: 20
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Entropic bond descriptors from separated output-reduced communication channels in atomic orbital resolution

Szczepanik Dariusz , Mrozek Janusz

Journal of Mathematical Chemistry, 2011 vol. 49 no. 2, p. 562-575

journal article | academic paper punktacja MEiN [2011 A]: 25
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Entropic descriptors of quantum communications in molecules

Nalewajski Roman

Journal of Mathematical Chemistry, 2015 vol. 53 no. 1, p. 1-28

journal article | academic paper punktacja MEiN [2015 A]: 25
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Entropic representation in the theory of molecular electronic structure

Nalewajski Roman

Journal of Mathematical Chemistry, 2013 vol. 51 no. 1, p. 297-315

journal article | academic paper punktacja MEiN [2013 A]: 25
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Entropy/information descriptors of the chemical bond revisited

Nalewajski Roman

Journal of Mathematical Chemistry, 2011 vol. 49 no. 10, p. 2308-2329

journal article | academic paper punktacja MEiN [2011 A]: 25
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Information-theoretic multiplicities of chemical bond in Shull’s model of $H_2$

Nalewajski Roman

Journal of Mathematical Chemistry, 2013 vol. 51 no. 1, p. 7-20

journal article | academic paper punktacja MEiN [2013 A]: 25
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Minimal set of molecule-adapted atomic orbitals from maximum overlap criterion

Szczepanik Dariusz , Mrozek Janusz

Journal of Mathematical Chemistry, 2013 vol. 51 no. 10, p. 2687-2698

journal article | academic paper punktacja MEiN [2013 A]: 25
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On "phase"-equilibria in molecules

Nalewajski Roman

Journal of Mathematical Chemistry, 2014 vol. 52 no. 2, p. 588-612

journal article | academic paper punktacja MEiN [2014 A]: 25
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On entropy-continuity descriptors of molecular equilibrium states

Nalewajski Roman

Journal of Mathematical Chemistry, 2016 vol. 54 no. 4, p. 932-954

journal article | academic paper punktacja MEiN [2016 A]: 20
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On interference of orbital communications in molecular systems

Nalewajski Roman

Journal of Mathematical Chemistry, 2011 vol. 49 no. 3, p. 806-815

journal article | academic paper punktacja MEiN [2011 A]: 25
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On phases and interference of local communications in molecules

Nalewajski Roman

Journal of Mathematical Chemistry, 2014 vol. 52 no. 1, p. 72-92

journal article | academic paper punktacja MEiN [2014 A]: 25
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On probability flow descriptors in position and momentum spaces

Nalewajski Roman

Journal of Mathematical Chemistry, 2015 vol. 53 no. 9, p. 1966-1985

journal article | academic paper punktacja MEiN [2015 A]: 25
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On quadratic bond-order decomposition within molecular orbital space

Szczepanik Dariusz , Mrozek Janusz

Journal of Mathematical Chemistry, 2013 vol. 51 no. 6, p. 1619-1633

journal article | academic paper punktacja MEiN [2013 A]: 25
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On the implicit bond-dependency origins of bridge interactions

Nalewajski Roman , Gurdek Piotr

Journal of Mathematical Chemistry, 2011 vol. 49 no. 7, p. 1226-1237

journal article | academic paper punktacja MEiN [2011 A]: 25
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Quantum information approach to electronic equilibria : molecular fragments and non-equilibrium thermodynamic description

Nalewajski Roman

Journal of Mathematical Chemistry, 2014 vol. 52 no. 7, p. 1921-1948

journal article | academic paper punktacja MEiN [2014 A]: 25
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Quantum information descriptors and communications in molecules

Nalewajski Roman

Journal of Mathematical Chemistry, 2014 vol. 52 no. 5, p. 1292-1323

journal article | academic paper punktacja MEiN [2014 A]: 25
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Quantum information descriptors in position and momentum spaces

Nalewajski Roman

Journal of Mathematical Chemistry, 2015 vol. 53 no. 7, p. 1549-1575

journal article | academic paper punktacja MEiN [2015 A]: 25
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Resultant entropy/information, phase/entropy continuity and bond multiplicities in degenerate electronic states

Nalewajski Roman

Journal of Mathematical Chemistry, 2015 vol. 53 no. 4, p. 1126-1161

journal article | academic paper punktacja MEiN [2015 A]: 25
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Stationarity of electron distribution in ground-state molecular systems

Szczepanik Dariusz , Mrozek Janusz

Journal of Mathematical Chemistry, 2013 vol. 51 no. 5, p. 1388-1396

journal article | academic paper punktacja MEiN [2013 A]: 25
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Through-space and through-bridge components of chemical bonds

Nalewajski Roman

Journal of Mathematical Chemistry, 2011 vol. 49 no. 2, p. 371-392

journal article | academic paper punktacja MEiN [2011 A]: 25
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Use of Harriman’s construction in determining molecular equilibrium states

Nalewajski Roman

Journal of Mathematical Chemistry, 2013 vol. 51 no. 1, p. 369-381

journal article | academic paper punktacja MEiN [2013 A]: 25
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Use of the bond-projected superposition principle in determining the conditional probabilities of orbital events in molecular fragments

Nalewajski Roman

Journal of Mathematical Chemistry, 2011 vol. 49 no. 2, p. 592-608

journal article | academic paper punktacja MEiN [2011 A]: 25

Now showing items 1-26 of 26

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