| 000 | 04654naaaa2201021uu 4500 | ||
|---|---|---|---|
| 001 | https://directory.doabooks.org/handle/20.500.12854/68533 | ||
| 005 | 20220220102004.0 | ||
| 020 | _abooks978-3-0365-0431-5 | ||
| 020 | _a9783036504308 | ||
| 020 | _a9783036504315 | ||
| 024 | 7 |
_a10.3390/books978-3-0365-0431-5 _cdoi |
|
| 041 | 0 | _aEnglish | |
| 042 | _adc | ||
| 072 | 7 |
_aGP _2bicssc |
|
| 100 | 1 |
_aShenderovich, Ilya _4edt |
|
| 700 | 1 |
_aShenderovich, Ilya _4oth |
|
| 245 | 1 | 0 | _aGulliver in the Country of Lilliput : An Interplay of Noncovalent Interactions |
| 260 |
_aBasel, Switzerland _bMDPI - Multidisciplinary Digital Publishing Institute _c2021 |
||
| 300 | _a1 electronic resource (216 p.) | ||
| 506 | 0 |
_aOpen Access _2star _fUnrestricted online access |
|
| 520 | _aNoncovalent interactions are the bridge between ideal gas abstraction and the real world. For a long time, they were covered by two terms: van der Waals interactions and hydrogen bonding. Both experimental and quantum chemical studies have contributed to our understanding of the nature of these interactions. In the last decade, great progress has been made in identifying, quantifying, and visualizing noncovalent interactions. New types of interactions have been classified—their energetic and spatial properties have been tabulated. In the past, most studies were limited to analyzing the single strongest interaction in the molecular system under consideration, which is responsible for the most important structural properties of the system. Despite this limitation, such an approach often results in satisfactory approximations of experimental data. However, this requires knowledge of the structure of the molecular system and the absence of other competing interactions. The current challenge is to go beyond this limitation. This Special Issue collects ideas on how to study the interplay of noncovalent interactions in complex molecular systems including the effects of cooperation and anti-cooperation, solvation, reaction field, steric hindrance, intermolecular dynamics, and other weak but numerous impacts on molecular conformation, chemical reactivity, and condensed matter structure. | ||
| 540 |
_aCreative Commons _fhttps://creativecommons.org/licenses/by/4.0/ _2cc _4https://creativecommons.org/licenses/by/4.0/ |
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| 546 | _aEnglish | ||
| 650 | 7 |
_aResearch & information: general _2bicssc |
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| 653 | _asolvent effect | ||
| 653 | _ahydrogen bond | ||
| 653 | _aNMR | ||
| 653 | _acondensed matter | ||
| 653 | _apolarizable continuum model | ||
| 653 | _areaction field | ||
| 653 | _aexternal electric field | ||
| 653 | _aproton transfer | ||
| 653 | _ahalogen bond | ||
| 653 | _aphosphine oxide | ||
| 653 | _a31P NMR spectroscopy | ||
| 653 | _aIR spectroscopy | ||
| 653 | _anon-covalent interactions | ||
| 653 | _aspectral correlations | ||
| 653 | _aReaction mechanism | ||
| 653 | _afirst-principle calculation | ||
| 653 | _aBader charge analysis | ||
| 653 | _aactivation energy | ||
| 653 | _atransition state structure | ||
| 653 | _aconventional and non-conventional H-bonds | ||
| 653 | _aempirical Grimme corrections | ||
| 653 | _alattice energy of organic salts | ||
| 653 | _acomputation of low-frequency Raman spectra | ||
| 653 | _aconfinement | ||
| 653 | _asolid-state NMR | ||
| 653 | _amolecular dynamics | ||
| 653 | _ainterfaces and surfaces | ||
| 653 | _asubstituent effect | ||
| 653 | _aaromaticity | ||
| 653 | _aadenine | ||
| 653 | _aLewis acid–Lewis base interactions | ||
| 653 | _atetrel bond | ||
| 653 | _apnicogen bond | ||
| 653 | _atriel bond | ||
| 653 | _aelectron charge shifts | ||
| 653 | _aproton dynamics | ||
| 653 | _acarboxyl group | ||
| 653 | _aCPMD | ||
| 653 | _aDFT | ||
| 653 | _aIINS | ||
| 653 | _aIR | ||
| 653 | _aRaman | ||
| 653 | _acrystal engineering | ||
| 653 | _ahalogen bonding | ||
| 653 | _aazo dyes | ||
| 653 | _aQTAIM | ||
| 653 | _adispersion | ||
| 653 | _aketone–alcohol complexes | ||
| 653 | _adensity functional theory | ||
| 653 | _ahydrogen bonds | ||
| 653 | _amolecular recognition | ||
| 653 | _avibrational spectroscopy | ||
| 653 | _agas phase | ||
| 653 | _abenchmark | ||
| 653 | _apinacolone | ||
| 653 | _adeuteration | ||
| 653 | _aheavy drugs | ||
| 653 | _ahistamine receptor | ||
| 653 | _ahydrogen bonding | ||
| 653 | _areceptor activation | ||
| 653 | _an/a | ||
| 856 | 4 | 0 |
_awww.oapen.org _uhttps://mdpi.com/books/pdfview/book/3554 _70 _zDOAB: download the publication |
| 856 | 4 | 0 |
_awww.oapen.org _uhttps://directory.doabooks.org/handle/20.500.12854/68533 _70 _zDOAB: description of the publication |
| 999 |
_c80923 _d80923 |
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