Publications

Tips on using this search form

All search terms are case-insensitive
If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
To reset the search form, click here

Currently displaying 1101 - 1120 of 31149 publications

Spin-Symmetry Projected Constrained Unrestricted Hartree-Fock.

A Ayati, HGA Burton, S De Baerdemacker

Journal of chemical theory and computation

(2025)

5409

(doi: 10.1021/acs.jctc.5c00068)

Probability Method of Molecular Size, Polydispersity, and Branch Unit Distribution Function for the Three-Dimensional Polymers: A Continuation of Flory’s Work in 1941

Y Li, J Lyu, W Wang

Macromolecules

(2025)

8934

(doi: 10.1021/acs.macromol.5c00090)

Yielding in colloidal gels: From local structure to mesoscale strand breakage and macroscopic failure

H Bhaumik, TB Liverpool, CP Royall, RL Jack

Physical review. E

(2025)

111

055412

(doi: 10.1103/physreve.111.055412)

A foundation model for the Earth system

C Bodnar, WP Bruinsma, A Lucic, M Stanley, A Allen, J Brandstetter, P Garvan, M Riechert, JA Weyn, H Dong, JK Gupta, K Thambiratnam, AT Archibald, C-C Wu, E Heider, M Welling, RE Turner, P Perdikaris

Nature

(2025)

641

1180

(doi: 10.1038/s41586-025-09005-y)

Chemistry–climate feedback of atmospheric methane in a methane-emission-flux-driven chemistry–climate model

L Stecher, F Winterstein, P Jöckel, M Ponater, M Mertens, M Dameris

Atmospheric Chemistry and Physics

(2025)

5133

(doi: 10.5194/acp-25-5133-2025)

One-carbon homologation of alkenes.

MC Grocott, MJ Gaunt

Nature

(2025)

643

130

(doi: 10.1038/s41586-025-09159-9)

Isolation of Cellulose Nanocrystals: Data-Driven Identification of Key Factors Affecting Yield and Morphology

K Ballu

(2025)

(doi: 10.17863/CAM.122740)

Virus-like particles of retroviral origin in protein aggregation and neurodegenerative diseases

S Carra, B Fabian, H Taghavi, E Milanetti, V Giliberti, G Ruocco, J Shepherd, M Vendruscolo, M Fuxreiter

Molecular Aspects of Medicine

(2025)

103

101369

(doi: 10.1016/j.mam.2025.101369)

Nanoconfined superionic water is a molecular superionic

SW Coles, A Hajibabaei, V Kapil, XR Advincula, C Schran, SJ Cox, A Michaelides

(2025)

(doi: 10.48550/arxiv.2505.14171)

Isolation of Cellulose Nanocrystals: Data-Driven Identification of Key Factors Affecting Yield and Morphology

K Ballu

(2025)

Picocavity-Enhanced Raman Spectroscopy of Physisorbed H2 and D2 Molecules

A Shiotari, S Liu, G Trenins, T Sugimoto, M Wolf, M Rossi, T Kumagai

Physical Review Letters

(2025)

134

206901

(doi: 10.1103/PhysRevLett.134.206901)

Fluoride Enhances Alcohol Binding Within a Trigonal‐Prismatic Metal‐Organic Capsule

Y Yang, TK Ronson, D Hou, KH Luo, JR Nitschke

Angewandte Chemie

(2025)

137

e202505137

(doi: 10.1002/ange.202505137)

Unexpected structural isomers of AlFe2O4 + and AlCo2O4 +: vibrational spectroscopy and ion mobility combined with quantum chemistry.

W Schwedland, TC Penna, H Windeck, F Müller, S Leach, J Sauer, XR Advincula, F Berger, N Ishida, K Ohshimo, F Misaizu, Y-K Li, A Chakraborty, F Horn, KR Asmis

Chemical science

(2025)

11999

(doi: 10.1039/d5sc02681d)