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Journal of Computational Chemistry, ISSN 0192-8651, 07/2019, Volume 40, Issue 18, pp. 1707 - 1717
The possible isomers of [Mg(NH3)n = 1 − 10]+ clusters have been investigated using both M06‐2X/6‐31++G(d,p) and MP2/6‐31++G(d,p) levels of theory. The isomeric... 
binding energies | cluster's | structures | ammonia | temperature dependence | solvated magnesium ion | CALCIUM-ION | AB-INITIO | SOLVATION | CHEMISTRY, MULTIDISCIPLINARY | EARTH METAL-IONS | DIRECT COORDINATION | PHOTODISSOCIATION SPECTRA | WATER CLUSTERS | SCALING FACTORS | GAS-PHASE | ELECTRONIC-STRUCTURE | Ammonia | Infrared spectroscopy | Investigations | Force and energy
Journal Article
Journal of Computer-Aided Molecular Design, ISSN 0920-654X, 1/2017, Volume 31, Issue 1, pp. 107 - 118
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 12/2007, Volume 111, Issue 51, pp. 13638 - 13644
Various contemporary theoretical procedures have been tested for their accuracy in predicting the bond dissociation energies (BDEs) and the radical... 
X-Y X | HYDROGEN ABSTRACTION | THERMOCHEMICAL KINETICS | I-PR | ENTHALPIES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SET MODEL CHEMISTRY | CHEMISTRY, PHYSICAL | NONCOVALENT INTERACTIONS | DENSITY-FUNCTIONAL THEORY | HARTREE-FOCK | C-H | Ionization constants | Chemical properties | Analysis | Binding energy | Methyl groups
Journal Article
Journal of Physics: Condensed Matter, ISSN 0953-8984, 02/2012, Volume 24, Issue 7, pp. 073201 - 23
We summarize the theory of van der Waals (dispersion) forces, with emphasis on recent microscopic approaches that permit the prediction of forces between... 
PHYSICS, CONDENSED MATTER | GAS | GENERALIZED-GRADIENT APPROXIMATION | DENSITY-FUNCTIONAL THEORY | EXCHANGE | DER-WAALS FORCES | RANDOM-PHASE-APPROXIMATION | MOLECULES | Binding | Condensed matter | Mathematical analysis | Nanostructure | Dispersions | Joints | Contact
Journal Article
Journal of Computer-Aided Molecular Design, ISSN 0920-654X, 4/2014, Volume 28, Issue 4, pp. 375 - 400
Journal Article
Journal of Electron Spectroscopy and Related Phenomena, ISSN 0368-2048, 02/2019, Volume 231, pp. 75 - 87
Experimentally measured BEs are commercially available in various forms, e.g. scientific journals, handbooks, internet based data-banks, computer-based... 
Calibration energy | Measured BEs | Binding energy | NIST | XPS | Problem | Reliability | ESCA | Data-bank | CALIBRATION | SPECTROSCOPY | DEGRADATION | ADVENTITIOUS CARBON | Databases | X-ray spectroscopy | Banks (Finance) | Analysis | Force and energy
Journal Article