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1	Material Type: Article	Best practices in machine learning for chemistry Nature chemistry, 2021-06, Vol.13 (6), p.505-508 [Peer Reviewed Journal] Springer Nature Limited 2021. ;Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1755-4330 ;EISSN: 1755-4349 ;DOI: 10.1038/s41557-021-00716-z ;PMID: 34059804 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
2	Material Type: Article	UV photodesorption of interstellar CO ice analogues: from subsurface excitation to surface desorption Physical chemistry chemical physics : PCCP, 2012-07, Vol.14 (28), p.9929-9935 [Peer Reviewed Journal] Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/C2CP41177F Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
3	Material Type: Article	Atomistic Models of Amorphous Metal-Organic Frameworks Journal of physical chemistry. C, 2022-04, Vol.126 (16), p.6905-6914 [Peer Reviewed Journal] Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1932-7447 ;EISSN: 1932-7455 ;DOI: 10.1021/acs.jpcc.2c01091 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
4	Material Type: Article	Computer simulations of ionic liquids at electrochemical interfaces Physical chemistry chemical physics : PCCP, 2013-10, Vol.15 (38), p.15781-92 [Peer Reviewed Journal] Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/c3cp52088a ;PMID: 23985966 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
5	Material Type: Article	Modern quantum chemistry with [Open]Molcas The Journal of chemical physics, 2020-06, Vol.152 (21), p.214117-214117 [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/). ;info:eu-repo/semantics/openAccess ;Attribution ;ISSN: 0021-9606 ;ISSN: 1089-7690 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0004835 ;CODEN: JCPSA6 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
6	Material Type: Article	A modified expression for the Hamiltonian expectation value exploiting the short-range behavior of the wave function The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-05 [Peer Reviewed Journal] Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1089-5639 ;EISSN: 1520-5215 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
7	Material Type: Article	Unexpected longer T$_1$ lifetime of 6-sulfur guanine than 6-selenium guanine: the solvent effect of hydrogen bonds to brake the triplet decay Physical chemistry chemical physics : PCCP, 2024-05 [Peer Reviewed Journal] Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/d4cp00875h Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
8	Material Type: Article	Lessons Learned from Semi-Empirical Methods for the Li-Ion Battery Solid Electrolyte Interphase Journal of physical chemistry. C, 2024-02, Vol.128 (8), p.3269-3280 [Peer Reviewed Journal] Attribution - NonCommercial ;ISSN: 1932-7447 ;EISSN: 1932-7455 ;DOI: 10.1021/acs.jpcc.3c08176 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
9	Material Type: Article	Effect of surface chemistry on the electrical double layer in a long-chain ionic liquid Langmuir, 2023-11, Vol.39 (47), p.16785-16796 [Peer Reviewed Journal] Copyright ;ISSN: 0743-7463 ;EISSN: 1520-5827 ;DOI: 10.1021/acs.langmuir.3c02123 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
10	Material Type: Article	Vibrational transitions of H 2 Cl + : Potential energy surface and anharmonic computations Chemical physics letters, 2023-12, Vol.833 [Peer Reviewed Journal] Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 0009-2614 ;EISSN: 1873-4448 ;DOI: 10.1016/j.cplett.2023.140914 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
11	Material Type: Article	Orbital Magnetic Moment and Single-Ion Magnetic Anisotropy of the S = 1/2 K 3 [Fe(CN) 6 ] Compound: A Case Where the Orbital Magnetic Moment Dominates the Spin Magnetic Moment Inorganic chemistry, 2023-11 [Peer Reviewed Journal] Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 0020-1669 ;EISSN: 1520-510X ;DOI: 10.1021/acs.inorgchem.3c02158 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
12	Material Type: Article	Utilizing an Improved EXAFS Structure Analysis Method to Reveal Site-Specific Bonding Properties of Ag 44 (SR) 30 Nanoclusters Journal of physical chemistry. C, 2023-10, Vol.127 (42), p.20771-20778 [Peer Reviewed Journal] Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1932-7447 ;EISSN: 1932-7455 ;DOI: 10.1021/acs.jpcc.3c05206 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
13	Material Type: Article	Noncovalent Interactions in the Molecular Geometries of 4-Methylthiazole···H 2 O and 5-Methylthiazole···H 2 O Revealed by Microwave Spectroscopy The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-10, Vol.127 (39), p.8133-8145 [Peer Reviewed Journal] Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1089-5639 ;EISSN: 1520-5215 ;DOI: 10.1021/acs.jpca.3c05360 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
14	Material Type: Article	High energy quantum dynamics of the 15 N + o-14 N 14 N rovibrational activation and isotope exchange processes The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-09 [Peer Reviewed Journal] Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1089-5639 ;EISSN: 1520-5215 ;DOI: 10.1021/acs.jpca.3c04074 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
15	Material Type: Article	H 2 O˙+ and OH+ reactivity versus furan: experimental low energy absolute cross sections for modeling radiation damage Physical chemistry chemical physics : PCCP, 2023-09, Vol.25 (36), p.24643-24656 [Peer Reviewed Journal] Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/d3cp02772d Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
16	Material Type: Article	Transcorrelated selected configuration interaction in a bi-orthonormal basis and a cheap three-body correlation factor The Journal of chemical physics, 2023-06, Vol.159 (11) [Peer Reviewed Journal] Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0163831 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
17	Material Type: Article	Low Barrier Methyl Internal Rotations and 14 N Quadrupole Coupling in the Microwave Spectrum of 2,4-Dimethylthiazole The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-07, Vol.127 (28), p.5779-5789 [Peer Reviewed Journal] Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1089-5639 ;EISSN: 1520-5215 ;DOI: 10.1021/acs.jpca.3c01008 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
18	Material Type: Article	Study of Speciation and Transport Properties for Different Compositions of Carbonates in Li 2 CO 3 – Na 2 CO 3 and Li 2 CO 3 – K 2 CO 3 Binary Systems at High Temperature in Molten State Journal of physical chemistry. C, 2023-06, Vol.127 (23), p.11186-11194 [Peer Reviewed Journal] Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1932-7447 ;EISSN: 1932-7455 ;DOI: 10.1021/acs.jpcc.3c01226 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
19	Material Type: Article	Reactivity of presolvated and solvated electrons with CO 2 in water up to 118 bar at 298 and 308 K Physical chemistry chemical physics : PCCP, 2023-06, Vol.25, p.15916-15919 [Peer Reviewed Journal] Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/D3CP01535A Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
20	Material Type: Article	Assessing the Surface Chemistry of 2D Transition Metal Carbides (MXenes): A Combined Experimental/Theoretical 13 C Solid State NMR Approach Journal of the American Chemical Society, 2023-02, Vol.145 (7), p.4003-4014 [Peer Reviewed Journal] Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 0002-7863 ;EISSN: 1520-5126 ;DOI: 10.1021/jacs.2c11290 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 9,227 for All Library Resources

Springer Nature Limited 2021. ;Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1755-4330 ;EISSN: 1755-4349 ;DOI: 10.1038/s41557-021-00716-z ;PMID: 34059804

Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/C2CP41177F

Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1932-7447 ;EISSN: 1932-7455 ;DOI: 10.1021/acs.jpcc.2c01091

Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/c3cp52088a ;PMID: 23985966

Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1089-5639 ;EISSN: 1520-5215

Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/d4cp00875h

Attribution - NonCommercial ;ISSN: 1932-7447 ;EISSN: 1932-7455 ;DOI: 10.1021/acs.jpcc.3c08176

Copyright ;ISSN: 0743-7463 ;EISSN: 1520-5827 ;DOI: 10.1021/acs.langmuir.3c02123

Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 0009-2614 ;EISSN: 1873-4448 ;DOI: 10.1016/j.cplett.2023.140914

Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 0020-1669 ;EISSN: 1520-510X ;DOI: 10.1021/acs.inorgchem.3c02158

Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1932-7447 ;EISSN: 1932-7455 ;DOI: 10.1021/acs.jpcc.3c05206

Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1089-5639 ;EISSN: 1520-5215 ;DOI: 10.1021/acs.jpca.3c05360

Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1089-5639 ;EISSN: 1520-5215 ;DOI: 10.1021/acs.jpca.3c04074

Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/d3cp02772d

Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0163831

Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1089-5639 ;EISSN: 1520-5215 ;DOI: 10.1021/acs.jpca.3c01008

Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1932-7447 ;EISSN: 1932-7455 ;DOI: 10.1021/acs.jpcc.3c01226

Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/D3CP01535A

Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 0002-7863 ;EISSN: 1520-5126 ;DOI: 10.1021/jacs.2c11290

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