Small uranium and oxygen interstitial clusters in UO2: An empirical potential study

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2021.152783 ◽

2021 ◽

Vol 547 ◽

pp. 152783

Author(s):

X.-Y. Liu ◽

D.A. Andersson

Keyword(s):

Empirical Potential ◽

Oxygen Interstitial ◽

Potential Study

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Intercalators. 1. Nature of Stacking Interactions between Intercalators (Ethidium, Daunomycin, Ellipticine, and 4‘,6-Diaminide-2-phenylindole) and DNA Base Pairs.Ab InitioQuantum Chemical, Density Functional Theory, and Empirical Potential Study

Journal of the American Chemical Society ◽

10.1021/ja011490d ◽

2002 ◽

Vol 124 (13) ◽

pp. 3366-3376 ◽

Author(s):

David Řeha ◽

Martin Kabeláč ◽

Filip Ryjáček ◽

Jiří Šponer ◽

Judit E. Šponer ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Stacking Interactions ◽

Functional Theory ◽

Empirical Potential ◽

Potential Study ◽

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Interaction of Lysine-Alanine-Alanine tripeptide with a fragment of DNA: An empirical potential study

Journal of Computational Chemistry ◽

10.1002/jcc.540120103 ◽

1991 ◽

Vol 12 (1) ◽

pp. 9-16 ◽

Author(s):

Pavel Hobza ◽

Dana Nachtigallová ◽

Zdeněk Havlas ◽

Petr Maloň ◽

Jaroslav Šponar

Keyword(s):

Empirical Potential ◽

Potential Study

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Lattice parameter of Am, Np bearing MOX fuel: an empirical potential study

Journal of Physics Communications ◽

10.1088/2399-6528/abe921 ◽

2021 ◽

Author(s):

Emre Caglak ◽

Pierre-Etienne Labeau

Keyword(s):

Lattice Parameter ◽

Empirical Potential ◽

Mox Fuel ◽

Potential Study

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Empirical-potential study of the dissociative chemisorption ofSi2H6on theSi(001)2×1surface

Physical Review B ◽

10.1103/physrevb.60.8686 ◽

1999 ◽

Vol 60 (12) ◽

pp. 8686-8694 ◽

Author(s):

Jian-Zhong Que ◽

M. W. Radny ◽

P. V. Smith

Keyword(s):

Dissociative Chemisorption ◽

Empirical Potential ◽

Potential Study

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An Empirical Potential Study of the Interaction of L—;Lysine—;L—;Alanine—;L—;Alanine Tripeptide with Four models of B—;DNA with different Compositions

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.1994.10508038 ◽

1994 ◽

Vol 11 (4) ◽

pp. 869-880 ◽

Author(s):

Jiří Vondrásek ◽

Jaroslav Šponar ◽

Pavel Hobza

Keyword(s):

Empirical Potential ◽

Potential Study

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Intercalators. 1. Nature of Stacking Interactions between Intercalators (Ethidium, Daunomycin, Ellipticine, and 4‘,6‘-Diaminide-2-phenylindole) and DNA Base Pairs.Ab InitioQuantum Chemical, Density Functional Theory, and Empirical Potential Study [J. Am. Chem. Soc.2002,124, 3366−3367].

Journal of the American Chemical Society ◽

10.1021/ja033983j ◽

2003 ◽

Vol 125 (18) ◽

pp. 5581-5581 ◽

Author(s):

David Řeha ◽

Martin Kabeláč ◽

Filip Ryjáček ◽

Jiří Šponer ◽

Judit E. Šponer ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Stacking Interactions ◽

Functional Theory ◽

Empirical Potential ◽

Potential Study ◽

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Empirical potential study of the chemisorption of C2H2 and CH3 on the β-SiC(001) surface

Surface Science ◽

10.1016/s0039-6028(97)00656-0 ◽

1998 ◽

Vol 396 (1-3) ◽

pp. 24-39 ◽

Author(s):

A.J. Dyson ◽

P.V. Smith

Keyword(s):

Empirical Potential ◽

Potential Study

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Structural properties of silicon clusters: an empirical potential study

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/7/3/012 ◽

1995 ◽

Vol 7 (3) ◽

pp. 577-584 ◽

Author(s):

X G Gong ◽

Q Q Zheng ◽

Yi-Zhen He

Keyword(s):

Structural Properties ◽

Silicon Clusters ◽

Empirical Potential ◽

Potential Study

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Hydrogen-bonded Trimers of DNA Bases and their Interaction with Metal Cations: Ab initio Quantum-chemical and Empirical Potential Study

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.1997.10508161 ◽

1997 ◽

Vol 14 (5) ◽

pp. 613-628 ◽

Author(s):

J. Šponer ◽

J. V. Burda ◽

P. Mejzlík ◽

J. Leszczynski ◽

P. Hobza

Keyword(s):

Ab Initio ◽

Quantum Chemical ◽

Metal Cations ◽

Dna Bases ◽

Empirical Potential ◽

Potential Study ◽

Hydrogen Bonded

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Empirical-potential study of phonon transport in graphitic ribbons

Physical Review B ◽

10.1103/physrevb.70.245402 ◽

2004 ◽

Vol 70 (24) ◽

Author(s):

Takahiro Yamamoto ◽

Kazuyuki Watanabe ◽

Kazuaki Mii

Keyword(s):

Phonon Transport ◽

Empirical Potential ◽

Potential Study

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