| Attributes | Values |
|---|
| rdf:type
| |
| description
| - article (en)
- wetenschappelijk artikel (nl)
- наукова стаття, опублікована в листопаді 2002 (uk)
- article scientifique publié en novembre 2002 (fr)
- im November 2002 veröffentlichter wissenschaftlicher Artikel (de)
|
| publication date
| |
| publication date
| |
| language of work or name
| |
| language of work or name
| |
| cites work
| |
| cites work
| - The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
- Fluorobenzene⋯water and difluorobenzene⋯water systems: An ab initio investigation
- Structure and transformation: Large molecular clusters as models of condensed matter
- Ab initio studies of the water dimer using large basis sets: The structure and thermodynamic energies
- Structure–Activity Relationships of One-Ring Psychotomimetics
- Weakly bound clusters of biological interest
- Toward a systematic molecular orbital theory for excited states
- Molecular Clusters of π-Systems: Theoretical Studies of Structures, Spectra, and Origin of Interaction Energies
- Vibrational spectroscopy of small-sized hydrogen-bonded clusters and their ions
- The structure of microsolvated benzene derivatives and the role of aromatic substituents
- σ to π conformational transition: Interactions of the water trimer with π systems
- Interaction of the water dimer with π-systems: A theoretical investigation of structures, energies, and vibrational frequencies
- Structures, vibrational frequencies, and infrared spectra of the hexa-hydrated benzene clusters
- A theoretical investigation of the nature of the π-H interaction in ethene–H2O, benzene–H2O, and benzene–(H2O)2
- Ab initio studies of π-water tetramer complexes: Evolution of optimal structures, binding energies, and vibrational spectra of π-(H2O)n (n=1–4) complexes
- On the hydrogen bonding abilities of phenols and anisoles
- Spectroscopic study of the anisole-benzene complex formed in a supersonic free jet
|
| author name string
| |
| author name string
| - B. Reimann
- B. Brutschy
- H.-D. Barth
- K. Buchhold
- P. Tarakeshwar
|
| rdfs:label
| - Anisole-(H2O)n (n=1–3) complexes: An experimental and theoretical investigation of the modulation of optimal structures, binding energies, and vibrational spectra in both the ground and first excited states (en)
- Anisole-(H2O)n (n=1–3) complexes: An experimental and theoretical investigation of the modulation of optimal structures, binding energies, and vibrational spectra in both the ground and first excited states (nl)
|
| skos:prefLabel
| - Anisole-(H2O)n (n=1–3) complexes: An experimental and theoretical investigation of the modulation of optimal structures, binding energies, and vibrational spectra in both the ground and first excited states (en)
- Anisole-(H2O)n (n=1–3) complexes: An experimental and theoretical investigation of the modulation of optimal structures, binding energies, and vibrational spectra in both the ground and first excited states (nl)
|
| name
| - Anisole-(H2O)n (n=1–3) complexes: An experimental and theoretical investigation of the modulation of optimal structures, binding energies, and vibrational spectra in both the ground and first excited states (en)
- Anisole-(H2O)n (n=1–3) complexes: An experimental and theoretical investigation of the modulation of optimal structures, binding energies, and vibrational spectra in both the ground and first excited states (nl)
|
| author
| |
| author
| |
| title
| |
| title
| - Anisole-(H2O)n (n=1–3) complexes: An experimental and theoretical investigation of the modulation of optimal structures, binding energies, and vibrational spectra in both the ground and first excited states (en)
|
| page(s)
| |
| page(s)
| |
| instance of
| |
| instance of
| |
| published in
| |
| published in
| |
| issue
| |
| volume
| |
| issue
| |
| volume
| |
| DOI
| |
| DOI
| |
| DOI
| |
| is about
of | |
| is cites work
of | - On the properties of microsolvated molecules in the ground (S0) and excited (S1) states: the anisole-ammonia 1:1 complex
- A study on the anisole-water complex by molecular beam-electronic spectroscopy and molecular mechanics calculations.
- p-benzoquinone-benzene clusters as potential nanomechanical devices: a theoretical study
- Ground state structures and excited state dynamics of pyrrole-water complexes: ab initio excited state molecular dynamics simulations
- Dispersion corrected DFT approaches for anharmonic vibrational frequency calculations: nucleobases and their dimers.
- The effect of fluorine substitution on chiral recognition: interplay of CH···π, OH···π and CH···F interactions in gas-phase complexes of 1-aryl-1-ethanol with butan-2-ol.
- Computational study of hydrogen-bonded complexes of HOCO with acids: HOCO⋯HCOOH, HOCO⋯H2SO4, and HOCO⋯H2CO3.
- The structure, methyl rotation reflected in inelastic and quasielastic neutron scattering and vibrational spectra of 1,2,3,5-tetramethoxybenzene and its 2:1 complex with 1,2,4,5-tetracyanobenzene
|
| is cites work
of | |
![[RDF Data]](/fct/images/sw-rdf-blue.png)
![[cxml]](/fct/images/cxml_doc.png)
![[csv]](/fct/images/csv_doc.png)
![[text]](/fct/images/ntriples_doc.png)
![[turtle]](/fct/images/n3turtle_doc.png)
![[ld+json]](/fct/images/jsonld_doc.png)
![[rdf+json]](/fct/images/json_doc.png)
![[rdf+xml]](/fct/images/xml_doc.png)
![[atom+xml]](/fct/images/atom_doc.png)
![[html]](/fct/images/html_doc.png)