TY  - JOUR
AU  - Matasovic, Lujo
AU  - Bronstein, Hugo
AU  - Friend, Richard H.
AU  - Plasser, Felix
TI  - Classification and quantitative characterisation of the excited states of π-conjugated diradicals
JF  - FARADAY DISCUSSIONS
J2  - FARADAY DISCUSS
PY  - 2024
PG  - 23
SN  - 1359-6640
DO  - 10.1039/d4fd00055b
UR  - https://m2.mtmt.hu/api/publication/35342550
ID  - 35342550
LA  - English
DB  - MTMT
ER  - 

TY  - JOUR
AU  - Atalar, Kemal
AU  - Rath, Yannic
AU  - Crespo-Otero, Rachel
AU  - Booth, George H.
TI  - Fast and accurate nonadiabatic molecular dynamics enabled through variational interpolation of correlated electron wavefunctions
JF  - FARADAY DISCUSSIONS
J2  - FARADAY DISCUSS
PY  - 2024
PG  - 28
SN  - 1359-6640
DO  - 10.1039/d4fd00062e
UR  - https://m2.mtmt.hu/api/publication/35342548
ID  - 35342548
LA  - English
DB  - MTMT
ER  - 

TY  - JOUR
AU  - Elstone, Naomi S.
AU  - Shaw, Emily V.
AU  - Shimizu, Karina
AU  - Lai, Joshua
AU  - Deme, Bruno
AU  - Lane, Paul D.
AU  - Costen, Matthew L.
AU  - McKendrick, Kenneth G.
AU  - Youngs, Sarah
AU  - Rogers, Sarah E.
AU  - Lopes, Jose N. Canongia
AU  - Bruce, Duncan W.
AU  - Slattery, John M.
TI  - Chain-length dependent organisation in mixtures of hydrogenous and fluorous ionic liquids
JF  - FARADAY DISCUSSIONS
J2  - FARADAY DISCUSS
PY  - 2024
PG  - 24
SN  - 1359-6640
DO  - 10.1039/d4fd00047a
UR  - https://m2.mtmt.hu/api/publication/35318377
ID  - 35318377
LA  - English
DB  - MTMT
ER  - 

TY  - JOUR
AU  - Fiuza, T.
AU  - Sarkar, M.
AU  - Riedl, J.
AU  - Cousin, F.
AU  - Demouchy, G.
AU  - Depeyrot, J.
AU  - Dubois, E.
AU  - Perzynski, R.
AU  - Peyre, V.
TI  - Dispersions of magnetic nanoparticles in water/ionic liquid mixtures
JF  - FARADAY DISCUSSIONS
J2  - FARADAY DISCUSS
PY  - 2024
PG  - 17
SN  - 1359-6640
DO  - 10.1039/d4fd00028e
UR  - https://m2.mtmt.hu/api/publication/35307327
ID  - 35307327
LA  - English
DB  - MTMT
ER  - 

TY  - JOUR
AU  - Ye, Hong-Zhou
AU  - Berkelbach, Timothy C.
TI  - Adsorption and vibrational spectroscopy of CO on the surface of MgO from periodic local coupled-cluster theory
JF  - FARADAY DISCUSSIONS
J2  - FARADAY DISCUSS
PY  - 2024
PG  - 13
SN  - 1359-6640
DO  - 10.1039/d4fd00041b
UR  - https://m2.mtmt.hu/api/publication/35291648
ID  - 35291648
LA  - English
DB  - MTMT
ER  - 

TY  - JOUR
AU  - Civic, Janko
AU  - McFarlane, Neil R.
AU  - Masschelein, Joleen
AU  - Harvey, Jeremy N.
TI  - Exploring the selectivity of cytochrome P450 for enhanced novel anticancer agent synthesis
JF  - FARADAY DISCUSSIONS
J2  - FARADAY DISCUSS
PY  - 2024
PG  - 20
SN  - 1359-6640
DO  - 10.1039/d4fd00004h
UR  - https://m2.mtmt.hu/api/publication/35286928
ID  - 35286928
LA  - English
DB  - MTMT
ER  - 

TY  - JOUR
AU  - Guo, Yang
AU  - Pernal, Katarzyna
TI  - Spinless formulation of linearized adiabatic connection approximation and its comparison with the second order N-electron valence state perturbation theory
JF  - FARADAY DISCUSSIONS
J2  - FARADAY DISCUSS
PY  - 2024
PG  - 27
SN  - 1359-6640
DO  - 10.1039/d4fd00054d
UR  - https://m2.mtmt.hu/api/publication/35280628
ID  - 35280628
LA  - English
DB  - MTMT
ER  - 

TY  - JOUR
AU  - Kats, Daniel
AU  - Christlmaier, Evelin M. C.
AU  - Schraivogel, Thomas
AU  - Alavi, Ali
TI  - Orbital optimisation in xTC transcorrelated methods
JF  - FARADAY DISCUSSIONS
J2  - FARADAY DISCUSS
PY  - 2024
PG  - 20
SN  - 1359-6640
DO  - 10.1039/d4fd00036f
UR  - https://m2.mtmt.hu/api/publication/35270333
ID  - 35270333
LA  - English
DB  - MTMT
ER  - 

TY  - JOUR
AU  - Magnusson, Erika
AU  - Fitzpatrick, Aaron
AU  - Knecht, Stefan
AU  - Rahm, Martin
AU  - Dobrautz, Werner
TI  - Towards efficient quantum computing for quantum chemistry: reducing circuit complexity with transcorrelated and adaptive ansatz techniques
JF  - FARADAY DISCUSSIONS
J2  - FARADAY DISCUSS
PY  - 2024
PG  - 27
SN  - 1359-6640
DO  - 10.1039/d4fd00039k
UR  - https://m2.mtmt.hu/api/publication/35269543
ID  - 35269543
LA  - English
DB  - MTMT
ER  - 

TY  - JOUR
AU  - Seymour, J. M.
AU  - Gousseva, E.
AU  - Towers Tompkins, F. K.
AU  - Parker, L. G.
AU  - Alblewi, N. O.
AU  - Clarke, C. J.
AU  - Hayama, S.
AU  - Palgrave, R. G.
AU  - Bennett, R. A.
AU  - Matthews, R. P.
AU  - Lovelock, K. R. J.
TI  - Unravelling the complex speciation of halozincate ionic liquids using X-ray spectroscopies and calculations
JF  - FARADAY DISCUSSIONS
J2  - FARADAY DISCUSS
PY  - 2024
PG  - 22
SN  - 1359-6640
DO  - 10.1039/d4fd00029c
UR  - https://m2.mtmt.hu/api/publication/35268123
ID  - 35268123
LA  - English
DB  - MTMT
ER  -