Search details
1.
Hebbian Learning on Small Data Enables Experimental Discovery of High Tg Polyimides.
J Phys Chem A
; 125(31): 6829-6835, 2021 Aug 12.
Article
in English
| MEDLINE | ID: mdl-34329554
2.
Interval prediction of molecular properties in parametrized quantum chemistry.
Phys Rev Lett
; 112(25): 253003, 2014 Jun 27.
Article
in English
| MEDLINE | ID: mdl-25014809
3.
Pathways to soot oxidation: reaction of OH with phenanthrene radicals.
J Phys Chem A
; 118(37): 8606-13, 2014 Sep 18.
Article
in English
| MEDLINE | ID: mdl-24761798
4.
Artificial intelligence driven design of catalysts and materials for ring opening polymerization using a domain-specific language.
Nat Commun
; 14(1): 3686, 2023 Jun 21.
Article
in English
| MEDLINE | ID: mdl-37344485
5.
From aromaticity to self-organized criticality in graphene.
Phys Chem Chem Phys
; 14(35): 12075-8, 2012 Sep 21.
Article
in English
| MEDLINE | ID: mdl-22872129
6.
Quantum Monte Carlo for the x-ray absorption spectrum of pyrrole at the nitrogen K-edge.
J Chem Phys
; 136(14): 144301, 2012 Apr 14.
Article
in English
| MEDLINE | ID: mdl-22502512
7.
Combinatorial Polyacrylamide Hydrogels for Preventing Biofouling on Implantable Biosensors.
Adv Mater
; 34(24): e2109764, 2022 Jun.
Article
in English
| MEDLINE | ID: mdl-35390209
8.
Thermal decomposition of pentacene oxyradicals.
J Phys Chem A
; 115(49): 14184-90, 2011 Dec 15.
Article
in English
| MEDLINE | ID: mdl-22054037
9.
Radiolysis generates a complex organosynthetic chemical network.
Sci Rep
; 11(1): 1743, 2021 01 18.
Article
in English
| MEDLINE | ID: mdl-33462313
10.
Onset of diradical character in small nanosized graphene patches.
Phys Chem Chem Phys
; 12(33): 9839-44, 2010 Sep 07.
Article
in English
| MEDLINE | ID: mdl-20532344
11.
Quantitative characteristics of qualitative localized bonding patterns.
J Phys Chem A
; 114(9): 3074-9, 2010 Mar 11.
Article
in English
| MEDLINE | ID: mdl-19817374
12.
A diffusion Monte Carlo study of the O-H bond dissociation of phenol.
J Phys Chem A
; 114(36): 9832-5, 2010 Sep 16.
Article
in English
| MEDLINE | ID: mdl-20825240
13.
Quantum Monte Carlo and related approaches.
Chem Rev
; 112(1): 263-88, 2012 Jan 11.
Article
in English
| MEDLINE | ID: mdl-22196085
14.
Deciphering chemical bonding in golden cages.
J Phys Chem A
; 113(5): 866-8, 2009 Feb 05.
Article
in English
| MEDLINE | ID: mdl-19175335
15.
A photoelectron spectroscopic and theoretical study of B16- and B16(2-): an all-boron naphthalene.
J Am Chem Soc
; 130(23): 7244-6, 2008 Jun 11.
Article
in English
| MEDLINE | ID: mdl-18479137
16.
Carbon avoids hypercoordination in CB6(-), CB6(2-), and C2B5(-) planar carbon-boron clusters.
J Am Chem Soc
; 130(29): 9248-50, 2008 Jul 23.
Article
in English
| MEDLINE | ID: mdl-18582042
17.
Revealing intuitively assessable chemical bonding patterns in organic aromatic molecules via adaptive natural density partitioning.
J Org Chem
; 73(23): 9251-8, 2008 Dec 05.
Article
in English
| MEDLINE | ID: mdl-18980326
18.
Author Correction: Artificial intelligence driven design of catalysts and materials for ring opening polymerization using a domain-specific language.
Nat Commun
; 14(1): 4469, 2023 Jul 25.
Article
in English
| MEDLINE | ID: mdl-37491475
19.
Chiral Sugars Drive Enantioenrichment in Prebiotic Amino Acid Synthesis.
ACS Cent Sci
; 3(4): 322-328, 2017 Apr 26.
Article
in English
| MEDLINE | ID: mdl-28470050
20.
Observation of triatomic species with conflicting aromaticity: AlSi2- and AlGe2-.
J Phys Chem B
; 110(20): 9743-6, 2006 May 25.
Article
in English
| MEDLINE | ID: mdl-16706418