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Soft and hard x-ray Raman scattering by oriented symmetrical molecules: Selection rules, interference, and dephasing mechanisms
Soft and hard x-ray Raman scattering by oriented symmetrical molecules: Selection rules, interference, and dephasing mechanisms
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Soft and hard x-ray Raman scattering by oriented symmetrical molecules: Selection rules, interference, and dephasing mechanisms

Gel’mukhanov, Faris ; Privalov, Timofei ; Ågren, Hans

The Journal of chemical physics, 1998-09, Vol.109 (12), p.5060-5069 [Periódico revisado por pares]

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2
On the use of graph invariants for efficiently generating hydrogen bond topologies and predicting physical properties of water clusters and ice
On the use of graph invariants for efficiently generating hydrogen bond topologies and predicting physical properties of water clusters and ice
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On the use of graph invariants for efficiently generating hydrogen bond topologies and predicting physical properties of water clusters and ice

Kuo, Jer-Lai ; Coe, James V. ; Singer, Sherwin J. ; Band, Yehuda B. ; Ojamäe, Lars

The Journal of chemical physics, 2001-02, Vol.114 (6), p.2527-2540 [Periódico revisado por pares]

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3
Density Functional Study of Surface Forces in Athermal Polymer Solutions with Addititve Hard Sphere Interactions. Solvent Effects, Capillary Condensation and Capillary-Induced Surface Transitions
Density Functional Study of Surface Forces in Athermal Polymer Solutions with Addititve Hard Sphere Interactions. Solvent Effects, Capillary Condensation and Capillary-Induced Surface Transitions
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Density Functional Study of Surface Forces in Athermal Polymer Solutions with Addititve Hard Sphere Interactions. Solvent Effects, Capillary Condensation and Capillary-Induced Surface Transitions

Forsman, Jan ; Woodward, Clifford E. ; Freasier, Ben C.

The Journal of chemical physics, 2002, Vol.117 (4), p.1915 [Periódico revisado por pares]

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4
Theoretical study of the unusual potential energy curve of the A [sup 1]Σ[sup +] state of AgH
Theoretical study of the unusual potential energy curve of the A [sup 1]Σ[sup +] state of AgH
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Theoretical study of the unusual potential energy curve of the A [sup 1]Σ[sup +] state of AgH

Witek, Henryk A. ; Fedorov, Dmitri G. ; Hirao, Kimihiko ; Viel, Alexandra ; Widmark, Per-Olof

The Journal of chemical physics, 2002, Vol.116 (19), p.8396-8406 [Periódico revisado por pares]

American Institute of Physics

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5
Radiative singlet-triplet transition properties from coupled-cluster response theory: The importance of the S-0 -> T-1 transition for the photodissociation of water at 193 nm
Radiative singlet-triplet transition properties from coupled-cluster response theory: The importance of the S-0 -> T-1 transition for the photodissociation of water at 193 nm
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Radiative singlet-triplet transition properties from coupled-cluster response theory: The importance of the S-0 -> T-1 transition for the photodissociation of water at 193 nm

Christiansen, Ove ; Gauss, J

The Journal of chemical physics, 2002, Vol.116 (15), p.6674 [Periódico revisado por pares]

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6
Vibronic transitions from coupled-cluster response theory: Theory and application to HSiF and H2O
Vibronic transitions from coupled-cluster response theory: Theory and application to HSiF and H2O
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Vibronic transitions from coupled-cluster response theory: Theory and application to HSiF and H2O

Christiansen, Ove ; Ruden, TA ; Ruud, K ; Helgaker, T

The Journal of chemical physics, 2002, Vol.116 (19), p.8334 [Periódico revisado por pares]

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7
Electric field gradients of water: A systematic investigation of basis set, electron correlation, and rovibrational effects
Electric field gradients of water: A systematic investigation of basis set, electron correlation, and rovibrational effects
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Electric field gradients of water: A systematic investigation of basis set, electron correlation, and rovibrational effects

Olsen, Lars ; Christiansen, Ove ; Hemmingsen, Lars ; Sauer, Stephan P. A. ; Mikkelsen, Kurt V.

The Journal of chemical physics, 2002-01, Vol.116 (4), p.1424-1434 [Periódico revisado por pares]

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8
Simple approach to polyampholytes based on chain polarizabilities
Simple approach to polyampholytes based on chain polarizabilities
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Simple approach to polyampholytes based on chain polarizabilities

Khan, Malek O. ; Åkesson, Torbjörn ; Jönsson, Bo

The Journal of chemical physics, 2002-03, Vol.116 (9), p.3917-3924 [Periódico revisado por pares]

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9
Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections
Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections
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Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections

Hald, Kasper ; Jørgensen, Poul ; Christiansen, Ove ; Koch, Henrik

The Journal of chemical physics, 2002-04, Vol.116 (14), p.5963-5970 [Periódico revisado por pares]

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10
Theoretical characterization of the lowest-energy absorption band of pyrrole
Theoretical characterization of the lowest-energy absorption band of pyrrole
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Theoretical characterization of the lowest-energy absorption band of pyrrole

Roos, Björn O. ; Malmqvist, Per-Åke ; Molina, Vincent ; Serrano-Andrés, Luis ; Merchán, Manuela

The Journal of chemical physics, 2002-05, Vol.116 (17), p.7526-7536 [Periódico revisado por pares]

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