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1 . Report
Linear Response Properties of Solvated Systems: A Computational Study
저자
by
Goletto, Linda
;
Gómez, Sara
;
Andersen, Josefine H.
;
Koch, Henrik
;
Giovannini, Tommaso
.
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7 . Academic Journal
Insights into localization, energy ordering, and substituent effect in excited states of azobenzenes from coupled cluster calculations of nuclear spin-induced circular dichroism.
저자
by
Andersen, Josefine H.
;
Hättig, Christof
;
Coriani, Sonia
;
Štěpánek, Petr
.
소스
Physical Chemistry Chemical Physics (PCCP); 3/28/2024, Vol. 26 Issue 12, p9179-9196, 18p
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6 . Academic Journal
TURBOMOLE: Today and Tomorrow.
저자
by
Franzke, Yannick J.
;
Holzer, Christof
;
Andersen, Josefine H.
;
Begušić, Tomislav
;
Bruder, Florian
, et al.
소스
Journal of Chemical Theory & Computation; 10/24/2023, Vol. 19 Issue 20, p6859-6890, 32p
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7 . Report
eT 1.0: an open source electronic structure program with emphasis on coupled cluster and multilevel methods
저자
by
Folkestad, Sarai D.
;
Kjønstad, Eirik F.
;
Myhre, Rolf H.
;
Andersen, Josefine H.
;
Balbi, Alice
, et al.
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7 . Academic Journal
Efficient Protocol for Computing MCD Spectra in a Broad Frequency Range Combining Resonant and Damped CC2 Quadratic Response Theory.
저자
by
Andersen, Josefine H.
;
Coriani, Sonia
;
Hättig, Christof
.
소스
Journal of Chemical Theory & Computation; 9/12/2023, Vol. 19 Issue 17, p5977-5987, 11p
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5 . Academic Journal
Cherry-Picking Resolvents: Recovering the Valence Contribution in X‑ray Two-Photon Absorption within the Core–Valence-Separated Equation-of-Motion Coupled-Cluster Response Theory.
저자
by
Andersen, Josefine H.
;
Nanda, Kaushik D.
;
Krylov, Anna I.
;
Coriani, Sonia
.
소스
Journal of Chemical Theory & Computation; 10/11/2022, Vol. 18 Issue 10, p6189-6202, 14p
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6 . Academic Journal
Probing Molecular Chirality of Ground and Electronically Excited States in the UV–vis and X‑ray Regimes: An EOM-CCSD Study.
저자
by
Andersen, Josefine H.
;
Nanda, Kaushik D.
;
Krylov, Anna I.
;
Coriani, Sonia
.
소스
Journal of Chemical Theory & Computation; 3/8/2022, Vol. 18 Issue 3, p1748-1764, 17p
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6 .
Software for the frontiers of quantum chemistry : An overview of developments in the Q-Chem 5 package
저자
by
Epifanovsky, Evgeny
;
Gilbert, Andrew T. B.
;
Feng, Xintian
;
Lee, Joonho
;
Mao, Yuezhi
, et al.
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