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Modeling of dynamic molecular solvent properties using local and cavity field approaches
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- Macak, P. (author)
- Linkoping Univ, Dept Phys & Measurement Technol, S-58183 Linkoping, Sweden Univ Stockholm, FYSIKUM, S-11385 Stockholm, Sweden Royal Inst Technol, S-10044 Stockholm, Sweden
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- Norman, P. (author)
- Linköpings universitet,Tekniska högskolan,Beräkningsfysik
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- Luo, Yi (author)
- KTH,Bioteknologi,Linkoping Univ, Dept Phys & Measurement Technol, S-58183 Linkoping, Sweden Univ Stockholm, FYSIKUM, S-11385 Stockholm, Sweden Royal Inst Technol, S-10044 Stockholm, Sweden
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- (creator_code:org_t)
- AIP Publishing, 2000
- 2000
- English.
- In: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 112:4, s. 1868-1875
- Journal article (peer-reviewed)
Abstract
Subject headings
Close
- Current models of solvent properties using cavity reaction field methods are analyzed and categorized in two groups according to the use of local fields or cavity fields as the perturbing fields. Analytical connections between the two approaches are derived.
Keyword
- nonlinear-optical response
- hyperpolarizabilities
- polarizabilities
- acetonitrile
- media
- TECHNOLOGY
Publication and Content Type
- ref (subject category)
- art (subject category)
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- Macak, P.
- Norman, P.
- Luo, Yi
- Ågren, Hans
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- Royal Institute of Technology
- Linköping University
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