Martina Stella
Martina Stella
Research Associate, Imperial College London
imperial.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
A simple, exact density-functional-theory embedding scheme
FR Manby, M Stella, JD Goodpaster, TF Miller III
Journal of chemical theory and computation 8 (8), 2564-2568, 2012
2652012
Accelerating wavefunction in density-functional-theory embedding by truncating the active basis set
SJ Bennie, M Stella, TF Miller III, FR Manby
The Journal of chemical physics 143 (2), 024105, 2015
532015
A projector-embedding approach for multiscale coupled-cluster calculations applied to citrate synthase
SJ Bennie, MW van der Kamp, RCR Pennifold, M Stella, FR Manby, ...
Journal of chemical theory and computation 12 (6), 2689-2697, 2016
472016
Computational study of adsorption of cobalt on benzene and coronene
M Stella, SJ Bennie, FR Manby
Molecular Physics 113 (13-14), 1858-1864, 2015
122015
Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations
LE Ratcliff, W Dawson, G Fisicaro, D Caliste, S Mohr, A Degomme, ...
The Journal of Chemical Physics 152 (19), 194110, 2020
72020
Predicting core level photoelectron spectra of amino acids using density functional theory
JM Pi, M Stella, NK Fernando, AY Lam, A Regoutz, LE Ratcliff
The journal of physical chemistry letters 11 (6), 2256-2262, 2020
52020
Fast molecular compression by a hyperthermal collision gives bond-selective mechanochemistry
L Krumbein, K Anggara, M Stella, T Michnowicz, H Ochner, S Abb, ...
Physical Review Letters 126 (5), 056001, 2021
32021
Towards a systematic multi-scale method for excitations in molecular materials in the BigDFT code
M Stella, L Ratcliff, L Genovese
Bulletin of the American Physical Society 65, 2020
2020
Projector embedding approach for multiscale coupled-cluster calculations on enzyme-catalyzed reactions
A Mulholland, S Bennie, M van der Kamp, R Pennifold, M Stella, F Manby
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016
2016
Quantum embedding for molecular systems: a projection-operator approach
M Stella
University of Bristol, 2015
2015
Sistem, işlemi şu anda gerçekleştiremiyor. Daha sonra yeniden deneyin.
Makaleler 1–10