Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Article
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UV photodesorption of interstellar CO ice analogues: from subsurface excitation to surface desorptionPhysical 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/C2CP41177FDigital Resources/Online E-Resources |
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2 |
Material Type: Article
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Computer simulations of ionic liquids at electrochemical interfacesPhysical 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: 23985966Digital Resources/Online E-Resources |
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3 |
Material Type: Article
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Modern quantum chemistry with [Open]MolcasThe 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: JCPSA6Full text available |
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4 |
Material Type: Article
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Synthesis, photoelectric properties and photocatalytic activity of the Fe2O3/TiO2 heterogeneous photocatalystsPhysical chemistry chemical physics : PCCP, 2010-01, Vol.12 (28), p.8033-8041 [Peer Reviewed Journal]2015 INIST-CNRS ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/c002460k ;PMID: 20523943Full text available |
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5 |
Material Type: Article
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Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron densityPhysical 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/C7CP02110KDigital Resources/Online E-Resources |
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6 |
Material Type: Article
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Scalable molecular dynamics on CPU and GPU architectures with NAMDThe Journal of chemical physics, 2020-07, Vol.153 (4), p.044130-044130 [Peer Reviewed Journal]Author(s) ;Distributed under a Creative Commons Attribution 4.0 International License ;Copyright © 2020 Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0014475 ;PMID: 32752662 ;CODEN: JCPSA6Full text available |
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7 |
Material Type: Article
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The R.E.D. tools: advances in RESP and ESP charge derivation and force field library buildingPhysical chemistry chemical physics : PCCP, 2010-07, Vol.12 (28), p.7821-7839 [Peer Reviewed Journal]2015 INIST-CNRS ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/c0cp00111b ;PMID: 20574571Full text available |
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8 |
Material Type: Article
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A New Way for Probing Bond StrengthThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-03, Vol.124 (9), p.1850-1860 [Peer Reviewed Journal]Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1089-5639 ;EISSN: 1520-5215 ;DOI: 10.1021/acs.jpca.9b09845Digital Resources/Online E-Resources |
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9 |
Material Type: Article
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The Molpro quantum chemistry packageThe Journal of chemical physics, 2020-04, Vol.152 (14), p.144107-144107 [Peer Reviewed Journal]Author(s) ;2020 Author(s). Published under license by AIP Publishing. ;Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0005081 ;PMID: 32295355 ;CODEN: JCPSA6Full text available |
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10 |
Material Type: Article
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Photocatalytic hydrogen evolution on dye-sensitized mesoporous carbon nitride photocatalyst with magnesium phthalocyaninePhysical chemistry chemical physics : PCCP, 2010-10, Vol.12 (40), p.13020-13025 [Peer Reviewed Journal]2015 INIST-CNRS ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/c0cp00611d ;PMID: 20820579Full text available |
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11 |
Material Type: Article
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Structural analysis of highly porous gamma-Al2O3Journal of solid state chemistry, 2014-09, Vol.217, p.1 [Peer Reviewed Journal]ISSN: 0022-4596 ;ISSN: 1095-726X ;EISSN: 1095-726X ;DOI: 10.1016/j.jssc.2014.05.004Digital Resources/Online E-Resources |
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12 |
Material Type: Article
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A Nd6 molecular butterfly: a unique all-in-one material for SMM, MCE and maiden photosensitized opto-electronic device fabricationDalton Transactions, 2022, Vol.51 (4), p.1617-1633 [Peer Reviewed Journal]ISSN: 1477-9226 ;EISSN: 1477-9234 ;DOI: 10.1039/D1DT02364KDigital Resources/Online E-Resources |
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13 |
Material Type: Article
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Pressure and Phase Equilibria in Interacting Active Brownian SpheresPhysical review letters, 2015-05, Vol.114, p.198301 [Peer Reviewed Journal]ISSN: 1079-7114 ;EISSN: 1079-7114 ;DOI: 10.1103/PhysRevLett.114.198301Digital Resources/Online E-Resources |
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14 |
Material Type: Article
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Visible-light-induced photocatalysis through surface plasmon excitation of gold on titania surfacesPhysical chemistry chemical physics : PCCP, 2010-03, Vol.12 (10), p.2344-2355 [Peer Reviewed Journal]2015 INIST-CNRS ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/b917399d ;PMID: 20449347Full text available |
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15 |
Material Type: Article
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Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systemsThe Journal of chemical physics, 2020-03, Vol.152 (12), p.124119-124119 [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/). ;Attribution ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.5142502 ;PMID: 32241132 ;CODEN: JCPSA6Full text available |
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16 |
Material Type: Article
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Defect-dependent colossal negative thermal expansion in UiO-66(Hf) metal–organic frameworkPhysical chemistry chemical physics : PCCP, 2015-05, Vol.17 (17), p.11586-11592 [Peer Reviewed Journal]Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/c5cp01307kDigital Resources/Online E-Resources |
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17 |
Material Type: Article
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Ice in space: surface science investigations of the thermal desorption of model interstellar ices on dust grain analogue surfacesPhysical chemistry chemical physics : PCCP, 2010-06, Vol.12 (23), p.5947-5969 [Peer Reviewed Journal]2015 INIST-CNRS ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/b917005g ;PMID: 20520900Full text available |
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18 |
Material Type: Article
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Relativistic Hamiltonians for Chemistry: A PrimerChemphyschem, 2011-12, Vol.12 (17), p.3077-3094 [Peer Reviewed Journal]Copyright © 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim ;2015 INIST-CNRS ;Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1439-4235 ;EISSN: 1439-7641 ;DOI: 10.1002/cphc.201100682 ;PMID: 22076930Full text available |
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19 |
Material Type: Article
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System-Dependent Dispersion Coefficients for the DFT-D3 Treatment of Adsorption Processes on Ionic SurfacesChemphyschem, 2011-12, Vol.12 (17), p.3414-3420 [Peer Reviewed Journal]Copyright © 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim ;2015 INIST-CNRS ;Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. ;ISSN: 1439-4235 ;EISSN: 1439-7641 ;DOI: 10.1002/cphc.201100521 ;PMID: 22012803Full text available |
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20 |
Material Type: Article
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Necessary and sufficient elastic stability conditions in various crystal systemsPhysical review. B, Condensed matter and materials physics, 2014-12, Vol.90 [Peer Reviewed Journal]Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1098-0121 ;EISSN: 1550-235X ;DOI: 10.1103/PhysRevB.90.224104Digital Resources/Online E-Resources |