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- Currently displaying 9001 - 9020 of 30889 publications
All-Electron, Real-Space Perturbation Theory for Homogeneous Electric Fields: Theory, Implementation, and Application within DFT
(2018)
Bioinspired Total Synthesis of Bussealin E.
Organic Letters
(2018)
20
1597
(doi: 10.1021/acs.orglett.8b00340)
Canonical Structure and Orthogonality of Forces and Currents in Irreversible Markov Chains.
Journal of statistical physics
(2018)
170
1019
(doi: 10.1007/s10955-018-1986-0)
Loving the poison: the methylcitrate cycle and bacterial pathogenesis.
Microbiology
(2018)
164
251
(doi: 10.1099/mic.0.000604)
Terahertz VRT spectroscopy of the water hexamer-d12 prism: Dramatic enhancement of bifurcation tunneling upon librational excitation
Journal of Chemical Physics
(2018)
148
094301
(doi: 10.1063/1.5006195)
Mechanochemical Synthesis of Olanzapine Salts and Their Hydration Stability Study Using Powder X‑ray Diffraction
Crystal Growth & Design
(2018)
18
2138
(doi: 10.1021/acs.cgd.7b01593)
Computational evaluation of metal pentazolate frameworks: inorganic analogues of azolate metal-organic frameworks
Chem Sci
(2018)
9
3367
(doi: 10.1039/c7sc05020h)
Chemical Kinetics for Bridging Molecular Mechanisms and Macroscopic Measurements of Amyloid Fibril Formation.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 69
(2018)
69
273
Molecular dynamics ensemble refinement of the heterogeneous native state of NCBD using chemical shifts and NOEs
(2018)
273714
(doi: 10.1101/273714)
Chemical and climatic drivers of radiative forcing due to changes in stratospheric and tropospheric ozone over the 21st century
Atmospheric Chemistry and Physics
(2018)
18
2899
(doi: 10.5194/acp-18-2899-2018)
Importance of sulfate radical anion formation and chemistry in heterogeneous OH oxidation of sodium methyl sulfate, the smallest organosulfate
Atmospheric Chemistry and Physics
(2018)
18
2809
(doi: 10.5194/acp-18-2809-2018)
Analysis of ruthenium anticancer agents by MEEKC-UV and MEEKC–ICP-MS: Impact of structural motifs on lipophilicity and biological activity
Electrophoresis
(2018)
39
1201
(doi: 10.1002/elps.201700443)
Force‐Induced Catastrophes on Energy Landscapes: Mechanochemical Manipulation of Downhill and Uphill Bifurcations Explains the Ring‐Opening Selectivity of Cyclopropanes
Chemphyschem : a European journal of chemical physics and physical chemistry
(2018)
19
837
(doi: 10.1002/cphc.201701209)
Experimental and Theoretical Investigation of Structures, Stoichiometric Diversity, and Bench Stability of Cocrystals with a Volatile Halogen Bond Donor
Crystal Growth & Design
(2018)
18
2387
(doi: 10.1021/acs.cgd.7b01808)
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"
(2018)
Simulating the atmospheric response to the 11-year solar cycle forcing with the UM-UKCA model: the role of detection method and natural variability
Atmospheric Chemistry and Physics Discussions
(2018)
1
(doi: 10.5194/acp-2018-129)
Quasi-Newton Methods for Atmospheric Chemistry Simulations: Implementation in UKCA UM Vn10.8
Geoscientific Model Development
(2018)
11
3089
(doi: 10.5194/gmd-2018-32)
A simulation study of homogeneous ice nucleation in supercooled salty water.
The Journal of Chemical Physics
(2018)
148
222811
(doi: 10.1063/1.5008889)