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- Currently displaying 8601 - 8620 of 29255 publications
Combining quantum and QSAR methods for prediction of acid dissociation constants
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2017)
253
PEGylated liposomes associate with Wnt3A protein and expand putative stem cells in human bone marrow populations
Nanomedicine (London, England)
(2017)
12
845
(doi: 10.2217/nnm-2016-0386)
Thermal quantum time-correlation functions from classical-like dynamics
Molecular Physics
(2017)
115
1435
Nanoparticle Assembly:A Perspective and some Unanswered Questions
Current Science
(2017)
112
1635
Invited Article: Chiral optics of helicoidal cellulose nanocrystal films
APL Photonics
(2017)
2
040801
(doi: 10.1063/1.4978387)
Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory.
Journal of Chemical Theory and Computation
(2017)
13
1595
(doi: 10.1021/acs.jctc.6b01028)
Solar H$_2$ evolution in water with modified diketopyrrolopyrrole dyes immobilised on molecular Co and Ni catalyst–TiO$_2$ hybrids
Chemical science
(2017)
8
3070
(doi: 10.1039/C6SC05219C)
Beyond Iron: Iridium-Containing P450 Enzymes for Selective Cyclopropanations of Structurally Diverse Alkenes
ACS Cent Sci
(2017)
3
302
(doi: 10.1021/acscentsci.6b00391)
Improving Computational Predictions of Single-Stranded RNA Tetramers with Revised α/γ Torsional Parameters for the Amber Force Field
The journal of physical chemistry. B
(2017)
121
2989
(doi: 10.1021/acs.jpcb.7b00819)
Identification of Novel Class of TriazoloThiadiazoles as Potent Inhibitors of Human Heparanase and their Anticancer Activity
BMC cancer
(2017)
17
235
(doi: 10.1186/s12885-017-3214-8)
Double-layer ice from first principles
Physical Review B
(2017)
95
094121
(doi: 10.1103/PhysRevB.95.094121)
Dipole-Moment Reversal in a Polar Organic Monolayer Probed by Sum and Difference Frequency Spectroscopy
Journal of Physical Chemistry C
(2017)
121
6692
(doi: 10.1021/acs.jpcc.6b12700)
Ein achtkerniger metallosupramolekularer Würfel mit SpinâCrossoverâEigenschaften
Angewandte Chemie
(2017)
129
5012
(doi: 10.1002/ange.201700832)
An Octanuclear Metallosupramolecular Cage Designed To Exhibit Spin-Crossover Behavior
Angewandte Chemie International Edition
(2017)
56
4930
(doi: 10.1002/anie.201700832)
Sequence-selective encapsulation and protection of long peptides by a self-assembled Fe$^\text{II}$$_{8}$L$_{6}$ cubic cage
Nature Communications
(2017)
8
14882
(doi: 10.1038/ncomms14882)
In silico prediction of chemical subcellular localization via multi-classification methods
RSC Medicinal Chemistry
(2017)
8
1225
(doi: 10.1039/c7md00074j)
Study of device instability of bottom-gate ZnO transistors with sol–gel derived channel layers
Journal of Vacuum Science and Technology B Nanotechnology and Microelectronics
(2017)
35
03d104
(doi: 10.1116/1.4979321)
Occurrence and geographic distribution of polycyclic aromatic hydrocarbons in agricultural soils in eastern China
Environ Sci Pollut Res Int
(2017)
24
12168
(doi: 10.1007/s11356-017-8838-3)
Defining and quantifying frustration in the energy landscape: Applications to atomic and molecular clusters, biomolecules, jammed and glassy systems.
The Journal of Chemical Physics
(2017)
146
124103
(doi: 10.1063/1.4977794)
Multisite aggregation of p53 and implications for drug rescue
Proceedings of the National Academy of Sciences of the United States of America
(2017)
114
E2634
(doi: 10.1073/pnas.1700308114)