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 8941 - 8960 of 29634 publications
Combining quantum and QSAR methods for prediction of acid dissociation constants
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2017)
253
Thermal quantum time-correlation functions from classical-like dynamics
Molecular Physics
(2017)
115
1435
Solar H$_2$ evolution in water with modified diketopyrrolopyrrole dyes immobilised on molecular Co and Ni catalyst–TiO$_2$ hybrids
Chem Sci
(2017)
8
3070
(doi: 10.1039/c6sc05219c)
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)
PEGylated Liposomes Associate With Wnt3A Protein and Expand Putative Stem Cells in Human Bone Marrow Populations
Nanomedicine (Lond)
(2017)
12
845
(doi: 10.2217/nnm-2016-0386)
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)
Beyond Iron: Iridium-Containing P450 Enzymes for Selective Cyclopropanations of Structurally Diverse Alkenes.
ACS Central Science
(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)
Double-layer ice from first principles
Physical Review B
(2017)
95
094121
(doi: 10.1103/physrevb.95.094121)
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)
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)
Dipole-Moment Reversal in a Polar Organic Monolayer Probed by Sum and Difference Frequency Spectroscopy
The 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)
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)
In silico prediction of chemical subcellular localization via multi-classification methods.
Medchemcomm
(2017)
8
1225
(doi: 10.1039/c7md00074j)
Occurrence and geographic distribution of polycyclic aromatic hydrocarbons in agricultural soils in eastern China.
Environmental science and pollution research international
(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)
