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- Currently displaying 8141 - 8160 of 29356 publications
Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory
– J Chem Theory Comput
(2017)
13,
1595
(doi: 10.1021/acs.jctc.6b01028)
Invited Article: Chiral optics of helicoidal cellulose nanocrystal films
– APL Photonics
(2017)
2,
040801
(doi: 10.1063/1.4978387)
Nanoparticle assembly: A perspective and some unanswered questions
– Current Science
(2017)
112,
1635
Beyond Iron: Iridium-Containing P450 Enzymes for Selective Cyclopropanations of Structurally Diverse Alkenes
– ACS Cent Sci
(2017)
3,
302
(doi: 10.1021/acscentsci.6b00391)
Double-layer ice from first principles
– Physical Review B
(2017)
95,
094121
(doi: 10.1103/physrevb.95.094121)
Identification of Novel Class of Triazolo-Thiadiazoles as Potent Inhibitors of Human Heparanase and their Anticancer Activity
– BMC cancer
(2017)
17,
235
(doi: 10.1186/s12885-017-3214-8)
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)
Sequence-selective encapsulation and protection of long peptides by a self-assembled Fe$^\text{II}$$_{8}$L$_{6}$ cubic cage
– Nat Commun
(2017)
8,
14882
(doi: 10.1038/ncomms14882)
Ein achtkerniger metallosupramolekularer Würfel mit Spin‐Crossover‐Eigenschaften
– Angewandte Chemie
(2017)
129,
5012
(doi: 10.1002/ange.201700832)
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)
An Octanuclear Metallosupramolecular Cage Designed to Exhibit Spin-Crossover Behavior
– Angew Chem Int Ed Engl
(2017)
56,
4930
(doi: 10.1002/anie.201700832)
In silico prediction of chemical subcellular localization via multi-classification methods.
– Medchemcomm
(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 & Technology B, Nanotechnology and Microelectronics: Materials, Processing, Measurement, and Phenomena
(2017)
35,
03d104
(doi: 10.1116/1.4979321)
Reappraisal of Polytypism in Layered Double Hydroxides: Consequences of Cation Ordering in the Metal Hydroxide Layer
– Crystal Growth & Design
(2017)
17,
2536
(doi: 10.1021/acs.cgd.7b00071)
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)
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)
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)
Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(OiPr)9(salicylate)6] cages.
– Dalton Trans
(2017)
46,
4287
(doi: 10.1039/c7dt00049a)
Is High-Density Amorphous Ice Simply a “Derailed” State along the Ice I to Ice IV Pathway?
– Journal of Physical Chemistry Letters
(2017)
8,
1645
(doi: 10.1021/acs.jpclett.7b00492)
Targeting low-cost type-II heterostructures: Synthesis, structure and photoreactivity
– Journal of Alloys and Compounds
(2017)
698,
944