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1	Material Type: Article	A Hierarchical and Comparative Kinetic Modeling Study of C 1 − C 2 Hydrocarbon and Oxygenated Fuels International journal of chemical kinetics, 2013-10, Vol.45 (10), p.638-675 [Peer Reviewed Journal] ISSN: 0538-8066 ;EISSN: 1097-4601 ;DOI: 10.1002/kin.20802 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
2	Material Type: Article	Alchemical and structural distribution based representation for universal quantum machine learning The Journal of chemical physics, 2018-06, Vol.148 (24), p.241717-241717 [Peer Reviewed Journal] Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.5020710 ;PMID: 29960351 ;CODEN: JCPSA6 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
3	Material Type: Article	Reduced Kinetic Schemes of Complex Reaction Systems: Fossil and Biomass-Derived Transportation Fuels International journal of chemical kinetics, 2014-09, Vol.46 (9), p.512-542 [Peer Reviewed Journal] 2014 Wiley Periodicals, Inc. ;ISSN: 0538-8066 ;EISSN: 1097-4601 ;DOI: 10.1002/kin.20867 ;CODEN: IJCKBO Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
4	Material Type: Article	Perspective on integrating machine learning into computational chemistry and materials science The Journal of chemical physics, 2021-06, Vol.154 (23), p.230903-230903 [Peer Reviewed Journal] Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0047760 ;PMID: 34241249 ;CODEN: JCPSA6 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
5	Material Type: Article	Sparse learning of stochastic dynamical equations The Journal of chemical physics, 2018-06, Vol.148 (24), p.241723-241723 [Peer Reviewed Journal] Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.5018409 ;PMID: 29960307 ;CODEN: JCPSA6 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
6	Material Type: Article	Natural triple excitations in local coupled cluster calculations with pair natural orbitals The Journal of chemical physics, 2013-10, Vol.139 (13), p.134101-134101 [Peer Reviewed Journal] ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.4821834 ;PMID: 24116546 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
7	Material Type: Article	Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning The Journal of chemical physics, 2018-06, Vol.148 (24), p.241706-241706 [Peer Reviewed Journal] Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.5009502 ;PMID: 29960330 ;CODEN: JCPSA6 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
8	Material Type: Article	Regularized SCAN functional The Journal of chemical physics, 2019-04, Vol.150 (16), p.161101-161101 [Peer Reviewed Journal] Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.5094646 ;PMID: 31042928 ;CODEN: JCPSA6 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
9	Material Type: Article	SchNet – A deep learning architecture for molecules and materials The Journal of chemical physics, 2018-06, Vol.148 (24), p.241722-241722 [Peer Reviewed Journal] Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.5019779 ;PMID: 29960322 ;CODEN: JCPSA6 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
10	Material Type: Article	Constructing first-principles phase diagrams of amorphous LixSi using machine-learning-assisted sampling with an evolutionary algorithm The Journal of chemical physics, 2018-06, Vol.148 (24), p.241711-241711 [Peer Reviewed Journal] Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.5017661 ;CODEN: JCPSA6 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
11	Material Type: Article	Chemical vapour deposition of Fe-N-C oxygen reduction catalysts with full utilization of dense Fe-N 4 sites Nature materials, 2021-10, Vol.20 (10), p.1385 [Peer Reviewed Journal] 2021. The Author(s), under exclusive licence to Springer Nature Limited. ;EISSN: 1476-4660 ;DOI: 10.1038/s41563-021-01030-2 ;PMID: 34112977 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
12	Material Type: Article	A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu The Journal of chemical physics, 2010-04, Vol.132 (15), p.154104-154104-19 [Peer Reviewed Journal] 2010 American Institute of Physics ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.3382344 ;PMID: 20423165 ;CODEN: JCPSA6 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
13	Material Type: Article	Intramolecular hydroxyl nucleophilic attack pathway by a polymeric water oxidation catalyst with single cobalt sites Nature catalysis, 2022-05, Vol.5 (5), p.414 [Peer Reviewed Journal] ISSN: 2520-1158 ;EISSN: 2520-1158 ;DOI: 10.1038/s41929-022-00783-6 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
14	Material Type: Article	Accurate statistical associating fluid theory for chain molecules formed from Mie segments The Journal of chemical physics, 2013-10, Vol.139 (15), p.154504-154504 [Peer Reviewed Journal] ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.4819786 ;PMID: 24160524 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
15	Material Type: Article	OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules Journal of chemical theory and computation, 2019-03, Vol.15 (3), p.1863 [Peer Reviewed Journal] ISSN: 1549-9618 ;ISSN: 1549-9626 ;EISSN: 1549-9626 ;DOI: 10.1021/acs.jctc.8b01026 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
16	Material Type: Article	SparseMaps—A systematic infrastructure for reduced scaling electronic structure methods. V. Linear scaling explicitly correlated coupled-cluster method with pair natural orbitals The Journal of chemical physics, 2017-05, Vol.146 (17), p.174108-174108 [Peer Reviewed Journal] Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.4979993 ;PMID: 28477585 ;CODEN: JCPSA6 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
17	Material Type: Article	Towards sustainable concrete Nature materials, 2017-06, Vol.16 (7), p.698-699 [Peer Reviewed Journal] Copyright Nature Publishing Group Jul 2017 ;ISSN: 1476-1122 ;EISSN: 1476-4660 ;DOI: 10.1038/nmat4930 ;PMID: 28653697 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
18	Material Type: Article	Synthesis challenges for graphene industry Nature materials, 2019-06, Vol.18 (6), p.520-524 [Peer Reviewed Journal] Springer Nature Limited 2019. ;ISSN: 1476-1122 ;EISSN: 1476-4660 ;DOI: 10.1038/s41563-019-0341-4 ;PMID: 31114064 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
19	Material Type: Article	The ORCA quantum chemistry program package The Journal of chemical physics, 2020-06, Vol.152 (22), p.224108-224108 [Peer Reviewed Journal] Author(s) ;2020 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0004608 ;CODEN: JCPSA6 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
20	Material Type: Article	Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density Physical chemistry chemical physics : PCCP, 2017, Vol.19 (27), p.17928-17936 [Peer Reviewed Journal] Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/C7CP02110K Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by

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Results 1 - 20 of 624,506 for All Library Resources

ISSN: 0538-8066 ;EISSN: 1097-4601 ;DOI: 10.1002/kin.20802

Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.5020710 ;PMID: 29960351 ;CODEN: JCPSA6

2014 Wiley Periodicals, Inc. ;ISSN: 0538-8066 ;EISSN: 1097-4601 ;DOI: 10.1002/kin.20867 ;CODEN: IJCKBO

Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0047760 ;PMID: 34241249 ;CODEN: JCPSA6

Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.5018409 ;PMID: 29960307 ;CODEN: JCPSA6

ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.4821834 ;PMID: 24116546

Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.5009502 ;PMID: 29960330 ;CODEN: JCPSA6

Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.5094646 ;PMID: 31042928 ;CODEN: JCPSA6

Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.5019779 ;PMID: 29960322 ;CODEN: JCPSA6

Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.5017661 ;CODEN: JCPSA6

2021. The Author(s), under exclusive licence to Springer Nature Limited. ;EISSN: 1476-4660 ;DOI: 10.1038/s41563-021-01030-2 ;PMID: 34112977

2010 American Institute of Physics ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.3382344 ;PMID: 20423165 ;CODEN: JCPSA6

ISSN: 2520-1158 ;EISSN: 2520-1158 ;DOI: 10.1038/s41929-022-00783-6

ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.4819786 ;PMID: 24160524

ISSN: 1549-9618 ;ISSN: 1549-9626 ;EISSN: 1549-9626 ;DOI: 10.1021/acs.jctc.8b01026

Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.4979993 ;PMID: 28477585 ;CODEN: JCPSA6

Copyright Nature Publishing Group Jul 2017 ;ISSN: 1476-1122 ;EISSN: 1476-4660 ;DOI: 10.1038/nmat4930 ;PMID: 28653697

Springer Nature Limited 2019. ;ISSN: 1476-1122 ;EISSN: 1476-4660 ;DOI: 10.1038/s41563-019-0341-4 ;PMID: 31114064

Author(s) ;2020 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0004608 ;CODEN: JCPSA6

Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/C7CP02110K

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