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  • Currently displaying 8401 - 8420 of 30236 publications
Author(s)
Publication title
Journal Name
Publication year
Canonical Structure and Orthogonality of Forces and Currents in Irreversible Markov Chains.
M Kaiser, RL Jack, J Zimmer
Journal of Statistical Physics
(2018)
170
Terahertz VRT spectroscopy of the water hexamer-d12 prism: Dramatic enhancement of bifurcation tunneling upon librational excitation
WTS Cole, JD Farrell, AA Sheikh, Ö Yönder, RS Fellers, MR Viant, DJ Wales, RJ Saykally
The Journal of Chemical Physics
(2018)
148
Loving the poison: The methylcitrate cycle and bacterial pathogenesis
SK Dolan, A Wijaya, SM Geddis, DR Spring, R Silva-Rocha, M Welch
Microbiology (Reading, England)
(2018)
164
Mechanochemical Synthesis of Olanzapine Salts and Their Hydration Stability Study Using Powder X‑ray Diffraction
KK Sarmah, P Sarma, DR Rao, P Gupta, NK Nath, M Arhangelskis, R Thakuria
Crystal Growth & Design
(2018)
18
Chemical Kinetics for Bridging Molecular Mechanisms and Macroscopic Measurements of Amyloid Fibril Formation.
TCT Michaels, A Šarić, J Habchi, S Chia, G Meisl, M Vendruscolo, CM Dobson, TPJ Knowles
Annu Rev Phys Chem
(2018)
69
Chemical and climatic drivers of radiative forcing due to changes in stratospheric and tropospheric ozone over the 21st century
A Banerjee, AC Maycock, JA Pyle
Atmospheric Chemistry and Physics
(2018)
18
Molecular dynamics ensemble refinement of the heterogeneous native state of NCBD using chemical shifts and NOEs
E Papaleo, C Camilloni, K Teilum, M Vendruscolo, K Lindorff-Larsen
(2018)
Computational evaluation of metal pentazolate frameworks: inorganic analogues of azolate metal-organic frameworks
M Arhangelskis, AD Katsenis, AJ Morris, T Friščić
Chemical Science
(2018)
9
Importance of sulfate radical anion formation and chemistry in heterogeneous OH oxidation of sodium methyl sulfate, the smallest organosulfate
KC Kwong, MM Chim, JF Davies, KR Wilson, MN Chan
Atmospheric Chemistry and Physics
(2018)
18
Analysis of ruthenium anticancer agents by MEEKC-UV and MEEKC–ICP-MS: Impact of structural motifs on lipophilicity and biological activity
K Giringer, HU Holtkamp, S Movassaghi, WDJ Tremlett, NYS Lam, M Kubanik, CG Hartinger
Electrophoresis
(2018)
39
Experimental and Theoretical Investigation of Structures, Stoichiometric Diversity, and Bench Stability of Cocrystals with a Volatile Halogen Bond Donor
K Lisac, V Nemec, F Topić, M Arhangelskis, P Hindle, R Tran, I Huskić, AJ Morris, T Friščić, D Cinčić
Crystal Growth & Design
(2018)
18
Negative Electrodes for Li-Ion Batteries: Beyond Carbon
L Monconduit, L Croguennec, PK Allan, N Louvain
(2018)
4
Force‐Induced Catastrophes on Energy Landscapes: Mechanochemical Manipulation of Downhill and Uphill Bifurcations Explains the Ring‐Opening Selectivity of Cyclopropanes
M Wollenhaupt, C Schran, M Krupička, D Marx
ChemPhysChem
(2018)
19
Simulating the atmospheric response to the 11-year solar cycle forcing with the UM-UKCA model: the role of detection method and natural variability
EM Bednarz, AC Maycock, PJ Telford, P Braesicke, NL Abraham, JA Pyle
Atmospheric Chemistry and Physics Discussions
(2018)
Supplementary material to "Simulating the atmospheric response to the 11-year solar cycle forcing with the UM-UKCA model: the role of detection method and natural variability"
EM Bednarz, AC Maycock, PJ Telford, P Braesicke, NL Abraham, JA Pyle
(2018)
Supplementary material to "Quasi-Newton Methods for Atmospheric Chemistry Simulations: Implementation in UKCA UM Vn10.8"
E Esenturk, L Abraham, S Archer-Nicholls, C Mitsakou, P Griffiths, A Archibald, J Pyle
(2018)
A simulation study of homogeneous ice nucleation in supercooled salty water.
GD Soria, JR Espinosa, J Ramirez, C Valeriani, C Vega, E Sanz
Journal of Chemical Physics
(2018)
148
Quasi-Newton Methods for Atmospheric Chemistry Simulations: Implementation in UKCA UM vn10.8
E Esenturk, NL Abraham, S Archer-Nicolls, C Mitsakou, P Griffiths, A Archibald, J Pyle
Geoscientific Model Development
(2018)
11
Controlling cargo trafficking in multicomponent membranes
T Curk, P Wirnsberger, J Dobnikar, D Frenkel, A Saric
(2018)
Selective Anion Extraction and Recovery Using a FeII4L4 Cage
D Zhang, TK Ronson, J Mosquera, A Martinez, JR Nitschke
Angewandte Chemie
(2018)
130