Coriani S - Search Results

1

Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems.

Olsen JMH, Reine S, Vahtras O, Kjellgren E, Reinholdt P, Hjorth Dundas KO, Li X, Cukras J, Ringholm M, Hedegård ED, Di Remigio R, List NH, Faber R, Cabral Tenorio BN, Bast R, Pedersen TB, Rinkevicius Z, Sauer SPA, Mikkelsen KV, Kongsted J, Coriani S, Ruud K, Helgaker T, Jensen HJA, Norman P. Olsen JMH, et al. Among authors: coriani s. J Chem Phys. 2020 Jun 7;152(21):214115. doi: 10.1063/1.5144298. J Chem Phys. 2020. PMID: 32505165

2

Early-Career and Emerging Researchers in Physical Chemistry Volume 2.

Alexandrova AN, Biteen JS, Coriani S, Geiger FM, Gewirth AA, Goward GR, Guo H, Huang L, Li JF, Liedl T, Link S, Liu ZP, Maiti S, Orr-Ewing AJ, Osborn DL, Pfaendtner J, Roux B, Schmid F, Schmidt JR, Schneider WF, Slipchenko LV, Solomon GC, van Bokhoven JA, Van Speybroeck V, Ye S, Crawford TD, Zanni MT, Hartland GV, Shea JE. Alexandrova AN, et al. Among authors: coriani s. J Phys Chem B. 2023 Nov 2;127(43):9211-9214. doi: 10.1021/acs.jpcb.3c06596. J Phys Chem B. 2023. PMID: 37915223 No abstract available.

3

A closed-shell coupled-cluster treatment of the Breit-Pauli first-order relativistic energy correction.

Coriani S, Helgaker T, Jørgensen P, Klopper W. Coriani S, et al. J Chem Phys. 2004 Oct 8;121(14):6591-8. doi: 10.1063/1.1788634. J Chem Phys. 2004. PMID: 15473713

4

Polarizable continuum model study of solvent effects on electronic circular dichroism parameters.

Pecul M, Marchesan D, Ruud K, Coriani S. Pecul M, et al. Among authors: coriani s. J Chem Phys. 2005 Jan 8;122(2):024106. doi: 10.1063/1.1829046. J Chem Phys. 2005. PMID: 15638571

5

Density-functional theory study of electric and magnetic properties of hexafluorobenzene in the vapor phase.

Rizzo A, Cappelli C, Jansík B, Jonsson D, Sałek P, Coriani S, Wilson DJ, Helgaker T, Agren H. Rizzo A, et al. Among authors: coriani s. J Chem Phys. 2005 Jun 15;122(23):234314. doi: 10.1063/1.1935513. J Chem Phys. 2005. PMID: 16008448

6

The accuracy of ab initio molecular geometries for systems containing second-row atoms.

Coriani S, Marchesan D, Gauss J, Hättig C, Helgaker T, Jørgensen P. Coriani S, et al. J Chem Phys. 2005 Nov 8;123(18):184107. doi: 10.1063/1.2104387. J Chem Phys. 2005. PMID: 16292899

7

Gauge-origin-independent magnetizabilities of solvated molecules using the polarizable continuum model.

Ferrighi L, Marchesan D, Ruud K, Frediani L, Coriani S. Ferrighi L, et al. Among authors: coriani s. J Chem Phys. 2005 Nov 22;123(20):204104. doi: 10.1063/1.2121587. J Chem Phys. 2005. PMID: 16351237

8

The equilibrium structure of ferrocene.

Coriani S, Haaland A, Helgaker T, Jørgensen P. Coriani S, et al. Chemphyschem. 2006 Jan 16;7(1):245-9. doi: 10.1002/cphc.200500339. Chemphyschem. 2006. PMID: 16404766

9

Combined density functional/polarizable continuum model study of magnetochiral birefringence: can theory and experiment be brought to agreement?

Jansík B, Rizzo A, Frediani L, Ruud K, Coriani S. Jansík B, et al. Among authors: coriani s. J Chem Phys. 2006 Dec 21;125(23):234105. doi: 10.1063/1.2404661. J Chem Phys. 2006. PMID: 17190545

10

Linear-scaling implementation of molecular electronic self-consistent field theory.

Sałek P, Høst S, Thøgersen L, Jørgensen P, Manninen P, Olsen J, Jansík B, Reine S, Pawłowski F, Tellgren E, Helgaker T, Coriani S. Sałek P, et al. Among authors: coriani s. J Chem Phys. 2007 Mar 21;126(11):114110. doi: 10.1063/1.2464111. J Chem Phys. 2007. PMID: 17381199

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