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Journal of computational chemistry, ISSN 0192-8651, 06/2020, Volume 41, Issue 15, pp. 1416 - 1420
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2015, Third edition., ISBN 9781935522034, xv, 531 pages
Book
Chemical reviews, ISSN 0009-2665, 01/2012, Volume 112, Issue 1, pp. 632 - 672
Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Measurement | Polarization (Electricity) | Analysis | Voltage | Chemical bonds | Molecular orbitals | Research | Excited state chemistry | Solvents | Molecular chemistry | Peptides | Polymers | Nanostructured materials | Quantum theory | Quantum chemistry | Mathematical analysis | Quantum mechanics | Nanomaterials | Fragmentation
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The Journal of chemical physics, ISSN 0021-9606, 06/2014, Volume 140, Issue 21, pp. 214118 - 214118
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Proteins | Solvents | Electronic structure | Molecular orbitals | Mathematical models | Trimers | Computing time | Physical properties | Three dimensional models | Fragmentation | MONOMERS | INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY | MOLECULAR ORBITAL METHOD | POTENTIALS | ELECTRONIC STRUCTURE | INTERACTIONS | VARIATIONAL METHODS | ACCURACY | MOLECULES | SOLVENTS | PHYSICAL PROPERTIES | SOLUTES | PROTEINS | EFFICIENCY
Journal Article
Materials transactions, ISSN 1345-9678, 2016, Volume 57, Issue 3, pp. 213 - 226
Metal oxide | Hydrogen storage | Metal hydride | Molecular orbital method | Hydrocarbon | Atomization energy | Alloy design | Catalyst | Materials Science | Technology | Materials Science, Multidisciplinary | Metallurgy & Metallurgical Engineering | Science & Technology | Alloy development | Mathematical analysis | Hydrocarbons | Chemical bonds | Molecular orbitals | Hydrides | Alloying | Magnesium
Journal Article
Journal of computational chemistry, ISSN 0192-8651, 09/2018, Volume 39, Issue 24, pp. 1970 - 1978
fragment molecular orbital method | biomolecule | resolution of the identity approximation | electron correlation | third‐order Møller–Plesset perturbation theory | third-order Møller–Plesset perturbation theory | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Rheumatoid factor | Biotechnology | Biochemistry | Analysis | Methods | Proteins | MP3 | Errors | Approximation | Mathematical analysis | Digital music | Molecular orbitals | Ligands | Biomolecules | Fragmentation | Index Medicus
Journal Article
Chemical reviews, ISSN 0009-2665, 11/2011, Volume 111, Issue 11, pp. 7557 - 7593
Journal Article