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2024
Mark Anisotropic coarse-grain Monte Carlo simulations of lysozyme, lactoferrin, and NISTmAb by precomputing atomistic models
Hatch, Harold W. ; Bergonzo, Christina ; Blanco, Marco A. ; Yuan, Guangcui ; Grudinin, Sergei ; Lund, Mikael ^LU ; Curtis, Joseph E. ; Grishaev, Alexander V. ; Liu, Yun and Shen, Vincent K. (2024) In Journal of Chemical Physics 161(9).
- Contribution to journal › Article
2023
Mark Non-Hermitian Hamiltonians for linear and nonlinear optical response : A model for plexcitons
Finkelstein-Shapiro, Daniel ^LU ; Mante, Pierre Adrien ^LU ; Balci, Sinan ; Zigmantas, Donatas ^LU and Pullerits, Tõnu ^LU (2023) In Journal of Chemical Physics 158(10).
- Contribution to journal › Article
Mark Surfactant induced gelation of TEMPO-oxidized cellulose nanofibril dispersions probed using small angle neutron scattering
Schmitt, Julien ^LU ; Calabrese, Vincenzo ; Da Silva, Marcelo A. ; Hossain, Kazi M.Z. ; Li, Peixun ; Mahmoudi, Najet ^LU ; Dalgliesh, Robert M. ; Washington, Adam L. ; Scott, Janet L. and Edler, Karen J. ^LU (2023) In Journal of Chemical Physics 158(3).
- Contribution to journal › Article
Mark Effects of flexibility in coarse-grained models for bovine serum albumin and immunoglobulin G
Hirschmann, Frank ; Lopez, Hender ; Roosen-Runge, Felix ^LU ; Seydel, Tilo ; Schreiber, Frank and Oettel, Martin (2023) In Journal of Chemical Physics 158(8).
- Contribution to journal › Article
Mark Pulse overlap artifacts and double quantum coherence spectroscopy
Hedse, Albin ^LU ; Kalaee, Alex Arash Sand ^LU ; Wacker, Andreas ^LU and Pullerits, Tõnu ^LU (2023) In Journal of Chemical Physics 158(14).
- Contribution to journal › Article
Mark Ground-state heterogeneity and vibrational energy redistribution in bacterial phytochrome observed with femtosecond 2D IR spectroscopy
Chenchiliyan, Manoop ^LU ; Kübel, Joachim ; Ooi, Saik Ann ; Salvadori, Giacomo ; Mennucci, Benedetta ; Westenhoff, Sebastian ^LU and Maj, Michał (2023) In Journal of Chemical Physics 158(8).
- Contribution to journal › Article
Mark An embedded cluster CASPT2 study of the Ce:YVO4 spectrum
Larsson, Dennis ^LU and Veryazov, Valera ^LU (2023) In The Journal of chemical physics 159(11).
- Contribution to journal › Article
Mark Assessment of DFT functionals for a minimal nitrogenase [Fe(SH)4H]− model employing state-of-the-art ab initio methods
Vysotskiy, Victor P. ^LU ; Torbjörnsson, Magne ^LU ; Jiang, Hao ^LU ; Larsson, Dennis ^LU ; Cao, Lili ^LU ; Ryde, Ulf ^LU ; Zhai, Huanchen ; Lee, Seunghoon ^LU and Chan, Garnet Kin-Lic (2023) In The Journal of chemical physics 159(4).
- Contribution to journal › Article
Mark First-principles study of luminescence and electronic properties of Ce-doped Y2SiO5
Mirzai, Amin ^LU and Ahadi, Aylin ^LU (2023) In The Journal of chemical physics 159(16).
- Contribution to journal › Article
Mark Development of an analytical exponential-6 equation of state through Monte Carlo simulations
Hallstadius, Peter ^LU (2023) In Journal of Chemical Physics 159(16).
- Contribution to journal › Article

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