نتائج البحث - "Sylvester-Hvid, K. O."

1

Academic Journal

The Dalton quantum chemistry program system

المؤلفون: Aidas, K., Angeli, C., Bak, K. L., Bakken, V., Bast, R., Boman, L., Christiansen, O., Cimiraglia, R., Coriani, S., Dahle, P., Dalskov, E. K., Ekström, U., Enevoldsen, T., Eriksen, J. J., Ettenhuber, P., Fernández, B., Ferrighi, L., Fliegl, H., Frediani, L., Hald, K., Halkier, A., Hättig, C., Heiberg, H., Helgaker, T., Hennum, A. C., Hettema, H., Hjertenaes, E., Hoest, S., Hoeyvik, I.-M., Iozzi, M. F., Jansík, B., Jensen, H. J. A., Jonsson, D., Joergensen, P., Kauczor, J., Kirpekar, S., Kjaergaard, T., Klopper, W., Knecht, S., Kobayashi, R., Koch, H., Kongsted, J., Krapp, A., Kristensen, K., Ligabue, A., Lutnaes, O. B., Melo, J. I., Mikkelsen, K. V., Myhre, R. H., Neiss, C., Nielsen, C. B., Norman, P., Olsen, J., Olsen, J. M. H., Osted, A., Packer, M. J., Pawlowski, F., Pedersen, T. B., Provasi, P. F., Reine, S., Rinkevicius, Z., Ruden, T. A., Ruud, K., Rybkin, V. V., Salek, P., Samson, C. C. M., De Merás, A. S., Saue, T., Sauer, S. P. A., Schimmelpfennig, B., Sneskov, K., Steindal, A. H., Sylvester-Hvid, K. O., Taylor, P. R., Teale, A. M., Tellgren, E. I., Tew, D. P., Thorvaldsen, A. J., Thoegersen, L., Vahtras, O., Watson, M. A., Wilson, D. J. D., Ziolkowski, M., Aegren, H.

المصدر: Wiley interdisciplinary reviews / Computational Molecular Science, 4 (3), 269-284 ; ISSN: 1759-0876, 1759-0884

مصطلحات موضوعية: ddc:540, Chemistry & allied sciences, info:eu-repo/classification/ddc/540

Relation: info:eu-repo/semantics/altIdentifier/wos/000334522200006; info:eu-repo/semantics/altIdentifier/issn/1759-0876; info:eu-repo/semantics/altIdentifier/issn/1759-0884; https://publikationen.bibliothek.kit.edu/1000046685

الاتاحة: https://publikationen.bibliothek.kit.edu/1000046685

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2

Sign change of hyperpolarizabilities of solvated water, revised: Effects of equilibrium and nonequilibrium solvation

المؤلفون: Sylvester-Hvid, K. O., Mikkelsen, K. V., Norman, P., Jonsson, Dan, Ågren, Hans

المصدر: Journal of Physical Chemistry A. 108(41):8961-8965

مصطلحات موضوعية: nonlinear-optical properties, response method, molecular hyperpolarizabilities, liquid water, field, polarizabilities, continuum

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-23795

3

Cubic optical response of molecules in a nonequilibrium and equilibrium solvation model

المؤلفون: Sylvester-Hvid, K. O., Mikkelsen, K. V., Jonsson, D., Norman, P., Ågren, H.

المصدر: Journal of Physical Chemistry A. 103(42):8375-8383

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-198820

4

Nonlinear optical response of molecules in a nonequilibrium solvation model

المؤلفون: Sylvester-Hvid, K. O., Mikkelsen, K. V., Jonsson, D., Norman, P., Ågren, H.

المصدر: Journal of Chemical Physics. 109(13):5576-5584

مصطلحات موضوعية: Calculations, Dielectric materials, Electronic structure, Mathematical models, Nonlinear optics, Permittivity, Perturbation techniques, Solvents, Ehrenfest equation, Electronic charge distribution, Molecular charge distribution, Nonlinear optical response, Nuclear charge distribution, Molecules

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-198829

5

Dielectric and optical properties of pure liquids by means of ab initio reaction field theory

المؤلفون: Luo, Y., Norman, P., Ågren, H., Sylvester-Hvid, K. O., Mikkelsen, K. V.

المصدر: Physical Review E. Statistical, Nonlinear, and Soft Matter Physics. 57(4):4778-4785

مصطلحات موضوعية: Acetonitrile, Benzene, Calculations, Continuum mechanics, Dielectric properties, Mathematical models, Optical properties, Refractive index, Ab initio reaction field theory, Pure liquids, Liquids

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-198828

6

Excited state polarizabilities in solution obtained by cubic response theory: Calculations on para-, ortho-, and meta-nitroaniline

المؤلفون: Jonsson, D., Norman, P., Ågren, H., Luo, Y., Sylvester-Hvid, K. O., Mikkelsen, K. V.

المصدر: Journal of Chemical Physics. 109(15):6351-6357

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-198830

7

Hyperpolarizability depolarization ratios of nitroanilines

المؤلفون: Norman, P., Luo, Y., Jonsson, D., Ågren, H., Sylvester-Hvid, K. O., Mikkelsen, K. V.

المصدر: Journal of Chemical Physics. 107(21):9063-9066

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-198840

8

Academic Journal

The Dalton quantum chemistry program system

المؤلفون: Aidas, Kestutis, Angeli, C., Bak, K.L., Bakken, V., Bast, R., Boman, L., Christiansen, O., Cimiraglia, R., Coriani, S., Dahle, P., Dalskov, E.K., Ekström, U., Enevoldsen, T., Eriksen, J.J., Ettenhuber, P., Fernández, B., Ferrighi, L., Fliegl, H., Frediani, L., Hald, K., Halkier, A., Hättig, C., Heiberg, H., Helgaker, T., Hennum, A.C., Hettema, H., Hjertenæs, E., Høst, S., Høyvik, I.-M., Iozzi, M.F., Jansík, B., Jensen, H.J.A., Jonsson, D., Jørgensen, P., Kauczor, J., Kirpekar, S., Kjærgaard, T., Klopper, W., Knecht, Stefan, Kobayashi, R., Koch, H., Kongsted, J., Krapp, A., Kristensen, K., Ligabue, A., Lutnæs, O.B., Melo, J.I., Mikkelsen, K.V., Myhre, R.H., Neiss, C., Nielsen, C.B., Norman, P., Olsen, J., Olsen, J.M.H., Osted, A., Packer, M.J., Pawlowski, F., Pedersen, T.B., Provasi, P.F., Reine, S., Rinkevicius, Z., Ruden, T.A., Ruud, K., Rybkin, V.V., Sałek, P., Samson, C.C.M., de Merás, A.S., Saue, T., Sauer, Stephan P. A., Schimmelpfennig, B., Sneskov, K., Steindal, A.H., Sylvester-Hvid, K. O., Taylor, P.R., Teale, A.M., Tellgren, E.I., Tew, D.P., Thorvaldsen, A.J., Thøgersen, L., Vahtras, O., Watson, M.A., Wilson, Douglas, Ziolkowski, M., Ågren, H.

المصدر: Aidas , K , Angeli , C , Bak , K L , Bakken , V , Bast , R , Boman , L , Christiansen , O , Cimiraglia , R , Coriani , S , Dahle , P , Dalskov , E K , Ekström , U , Enevoldsen , T , Eriksen , J J , Ettenhuber , P , Fernández , B , Ferrighi , L , Fliegl , H , Frediani , L , Hald , K , Halkier , A , Hättig , C , Heiberg , H , Helgaker , T , ....

الاتاحة: https://pure.au.dk/portal/da/publications/the-dalton-quantum-chemistry-program-system(1bee3433-c943-4231-92ce-b88be59d76dd).html
https://doi.org/10.1002/wcms.1172

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9

Academic Journal

The iterative self-consistent reaction-field method: The refractive index of pure water

المؤلفون: Sylvester-Hvid, K. O., Mikkelsen, Kurt Valentin, Ratner, M. A.

المصدر: Sylvester-Hvid , K O , Mikkelsen , K V & Ratner , M A 2011 , ' The iterative self-consistent reaction-field method: The refractive index of pure water ' , International Journal of Quantum Chemistry , vol. 111 , no. 4 , pp. 904-913 .

الاتاحة: https://researchprofiles.ku.dk/da/publications/the-iterative-selfconsistent-reactionfield-method-the-refractive-index-of-pure-water(7ae13514-4c6d-48ad-b8ab-d3a4a28b1287).html

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10

Academic Journal

A Dipole Interaction Model for the Molecular Second Hyperpolarizability

المؤلفون: Jensen, L, Sylvester-Hvid, K O, Mikkelsen, K V, Astrand, P O

المصدر: Jensen , L , Sylvester-Hvid , K O , Mikkelsen , K V & Astrand , P O 2003 , ' A Dipole Interaction Model for the Molecular Second Hyperpolarizability ' , The Journal of Physical Chemistry A , vol. 107 , no. 13 , pp. 2270-2276 . https://doi.org/10.1021/jp026208j

مصطلحات موضوعية: NONLINEAR-OPTICAL-RESPONSE, FREQUENCY-DEPENDENT POLARIZABILITY, LEVEL-CORRELATED CALCULATIONS, COUPLED HARTREE-FOCK, 2ND HYPERPOLARIZABILITY, CONJUGATED POLYMERS, CARBON NANOTUBES, ORGANIC-MOLECULES, C-60-DERIVED NANOTUBES, ATOM POLARIZABILITIES

Relation: https://research.rug.nl/en/publications/fc7d5f0e-b026-4892-b065-3e1ccb7080fe

الاتاحة: https://hdl.handle.net/11370/fc7d5f0e-b026-4892-b065-3e1ccb7080fe
https://research.rug.nl/en/publications/fc7d5f0e-b026-4892-b065-3e1ccb7080fe
https://doi.org/10.1021/jp026208j

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11

Academic Journal

ChemInform Abstract: Synthesis of trans‐(.+‐.)‐1,2,3,3a,4a,5,6,7‐Octaphenyl‐3aH,4aH‐dicyclopenta[b,e] [1,4]dithiin by Dimerization and Further Rearrangement of the Transient 2,3,4,5‐Tetraphenyl‐2,4‐cyclopentadiene‐1‐thione.

المؤلفون: HENRIKSEN, M., HAZELL, R. G., LARSEN, F. K., SCHULTZ, T., SYLVESTER‐HVID, K. O., KLABUNDE, K. J., MIKKELSEN, K. V., SENNING, A.

المصدر: ChemInform ; volume 29, issue 43 ; ISSN 0931-7597 1522-2667

الاتاحة: http://dx.doi.org/10.1002/chin.199843173
https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fchin.199843173
https://onlinelibrary.wiley.com/doi/pdf/10.1002/chin.199843173

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12

Dalton, a molecular electronic structure program, Release Dalton2011

المؤلفون: Angeli C, Bak K. L., Bakken V., Christiansen O., Cimiraglia R., Dahle P., Dalskov E. K., Enevoldsen T., Fernandez B., Ferrighi L, Frediani L, Haettig C, Hald K, Halkier A, Heiberg H, Helgaker T., Hettema H., Jansik B., Jensen H. J. A.a., Jonsson D., Jørgensen P., Kirpekar S., Klopper W., Knecht S., Kobayashi R., Kongsted J., Koch H., Ligabue A., Lutnæs O. B., Mikkelsen K. V., Nielsen C. B., Norman P., Olsen J., Osted A., Packer M. J., Pedersen T. B., Rinkevicius Z., Rudberg E., Ruden T. A., Ruud K., Salek P., Samson C. C. M., Sanchez de Meras A., Saue T., Sauer S. P. A., Schimmelpfennig B., Steindal A. H., Sylvester Hvid K. O., Taylor P. R., Vahtras O., Wilson D. J., Aagren H., CORIANI, Sonia

المساهمون: Angeli, C, Bak, K. L., Bakken, V., Christiansen, O., Cimiraglia, R., Coriani, Sonia, Dahle, P., Dalskov, E. K., Enevoldsen, T., Fernandez, B., Ferrighi, L, Frediani, L, Haettig, C, Hald, K, Halkier, A, Heiberg, H, Helgaker, T., Hettema, H., Jansik, B., Jensen, H. J. A. a., Jonsson, D., Jørgensen, P., Kirpekar, S., Klopper, W., Knecht, S., Kobayashi, R., Kongsted, J., Koch, H., Ligabue, A., Lutnæs, O. B., Mikkelsen, K. V., Nielsen, C. B., Norman, P., Olsen, J., Osted, A., Packer, M. J., Pedersen, T. B., Rinkevicius, Z., Rudberg, E., Ruden, T. A., Ruud, K., Salek, P., Samson, C. C. M., Sanchez de Meras, A., Saue, T., Sauer, S. P. A., Schimmelpfennig, B., Steindal, A. H., Sylvester Hvid, K. O., Taylor, P. R., Vahtras, O., Wilson, D. J., Aagren, H.