ChemInform Abstract: Atomic Energy in the “Atoms in Molecules” Theory and Its Use for Solving Chemical Problems

10.1002/chin.200944273 ◽

2009 ◽

Vol 40 (44) ◽

Author(s):

I. S. Bushmarinov ◽

K. A. Lyssenko ◽

M. Yu. Antipin

Keyword(s):

Atomic Energy ◽

Atoms In Molecules ◽

Atoms In Molecules Theory

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Atomic energy in the 'Atoms in Molecules' theory and its use for solving chemical problems

Russian Chemical Reviews ◽

10.1070/rc2009v078n04abeh004017 ◽

2009 ◽

Vol 78 (4) ◽

pp. 283-302 ◽

Author(s):

I S Bushmarinov ◽

Konstantin A Lyssenko ◽

Mikhail Yu Antipin

Keyword(s):

Atomic Energy ◽

Atoms In Molecules ◽

Atoms In Molecules Theory

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An implementation of the atoms in molecules theory to the FPLAPW method

Computer Physics Communications ◽

10.1016/s0010-4655(01)00428-3 ◽

2002 ◽

Vol 143 (3) ◽

pp. 199-212 ◽

Author(s):

Yosslen Aray ◽

Jesus Rodriguez ◽

David Vega

Keyword(s):

Atoms In Molecules ◽

Atoms In Molecules Theory

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Atoms in molecules theory for exploring the nature of the MoS2 catalyst edges sites

Journal of Molecular Catalysis A Chemical ◽

10.1016/j.molcata.2006.09.034 ◽

2007 ◽

Vol 265 (1-2) ◽

pp. 32-41 ◽

Author(s):

Yosslen Aray ◽

Jesus Rodríguez

Keyword(s):

Atoms In Molecules ◽

Atoms In Molecules Theory ◽

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Atoms in Molecules Theory for Exploring the Nature of the Active Sites on Surfaces

The Quantum Theory of Atoms in Molecules ◽

10.1002/9783527610709.ch9 ◽

2007 ◽

pp. 231-256 ◽

Author(s):

Yosslen Aray ◽

Jesus Rodrguez ◽

David Vega

Keyword(s):

Active Sites ◽

Atoms In Molecules ◽

Atoms In Molecules Theory

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An Atoms-in-Molecules Theory Interpretation for the Structure of Di-n-Butyltin(IV) Derivative of Glycylvaline

National Academy Science Letters ◽

10.1007/s40009-018-0756-5 ◽

2019 ◽

Vol 42 (4) ◽

pp. 327-331

Author(s):

Sandeep Pokharia ◽

Swatantra Kumar Yadav ◽

Hirdyesh Mishra

Keyword(s):

Atoms In Molecules ◽

Atoms In Molecules Theory ◽

Theory Interpretation

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Nature of Transannular Intramolecular Interactions in Group 4 and 6 Metallatranes: A Combined Density Functional Theory and Atoms in Molecules Theory Study

Inorganic Chemistry ◽

10.1021/ic101542m ◽

2010 ◽

Vol 49 (21) ◽

pp. 9884-9890 ◽

Author(s):

Ashwini K. Phukan ◽

Ankur Kanti Guha

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Intramolecular Interactions ◽

Atoms In Molecules ◽

Functional Theory ◽

Group 4 ◽

Atoms In Molecules Theory

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Hydrogen–Hydrogen Bonding in Planar Biphenyl, Predicted by Atoms-In-Molecules Theory, Does Not Exist

Chemistry - A European Journal ◽

10.1002/chem.200500850 ◽

2006 ◽

Vol 12 (10) ◽

pp. 2889-2895 ◽

Author(s):

Jordi Poater ◽

Miquel Solà ◽

F. Matthias Bickelhaupt

Keyword(s):

Hydrogen Bonding ◽

Atoms In Molecules ◽

Atoms In Molecules Theory

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New Scaled Atoms‐in‐Molecules Theory for Predicting Diatomic Potential‐Energy Curves. II. Studies of the Calibration Technique and Applications to HeH+, HeH, He2+, H2−, and He2

The Journal of Chemical Physics ◽

10.1063/1.1668770 ◽

1968 ◽

Vol 48 (3) ◽

pp. 1103-1109 ◽

Author(s):

Ay‐ju A. Wu ◽

Frank O. Ellison

Keyword(s):

Potential Energy ◽

Atoms In Molecules ◽

Potential Energy Curves ◽

Calibration Technique ◽

Atoms In Molecules Theory

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On the electron-pair nature of the hydrogen bond in the framework of the atoms in molecules theory

Chemical Physics Letters ◽

10.1016/s0009-2614(02)01928-0 ◽

2003 ◽

Vol 369 (1-2) ◽

pp. 248-255 ◽

Author(s):

J. Poater ◽

X. Fradera ◽

M. Solà ◽

M. Duran ◽

S. Simon

Keyword(s):

Hydrogen Bond ◽

Electron Pair ◽

Atoms In Molecules ◽

Atoms In Molecules Theory

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On the Failure of Correlating Partitioned Electrostatic Surface Potentials Using Bader's Atoms-in-Molecules Theory to Impact Sensitivities

10.21236/ada586396 ◽

2013 ◽

Author(s):

Edward F. Byrd

Keyword(s):

Atoms In Molecules ◽

Surface Potentials ◽

Impact Sensitivities ◽

Atoms In Molecules Theory

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