{"id":61,"date":"2017-10-06T12:27:41","date_gmt":"2017-10-06T16:27:41","guid":{"rendered":"http:\/\/chem.sites.mtu.edu\/valenzano\/?page_id=61"},"modified":"2017-10-07T16:48:33","modified_gmt":"2017-10-07T20:48:33","slug":"2010-present","status":"publish","type":"page","link":"https:\/\/chem.sites.mtu.edu\/valenzano\/publications\/2010-present\/","title":{"rendered":"2010-present"},"content":{"rendered":"

Publications since at Michigan Tech (h-index = 18 as per October 2017)<\/strong><\/h3>\n

 <\/p>\n

PD = postdoc, GR = graduate student, UG = undergraduate student<\/strong><\/h5>\n

 <\/p>\n

D. Degaga (GR)<\/u><\/span>, L. Valenzano<\/u>*, Part II: Quantum mechanical prediction of heats of adsorption for C2<\/sub>-C4<\/sub> <\/em>hydrocarbons in MOF-74-Mg\/Zn periodic structures, <\/em>2017, Chemical Physics Letters, 682<\/strong>, 168-174<\/a><\/p>\n

D. Degaga (GR)<\/u><\/span>, L. Valenzano<\/u>*, Part I: C2<\/sub>-C4<\/sub> Hydrocarbons Separation Addressed via Molecular Cluster Models Carved Out From Periodic MOF-74-Mg\/Zn Structures<\/em>, 2016, Chemical Physics Letters, 660<\/strong>, 313-319<\/a><\/p>\n

J. Zhang, M. Yang, W. Mazi, K. Adhikari (PD)<\/u><\/span>, M. Fang, F. Xie, L. Valenzano*<\/u>, A. Tiwari, F.-T. Luo, H. Liu, Unusual Fluorescent Responses of Morpholine-functionalized Fluorescent Probes to pH via Manipulation of BODIPY\u2019s HOMO and LUMO Energy Orbitals for Intracellular pH Detection<\/em>, 2015, ACS Sensors, 1<\/strong>, 158-165<\/a><\/p>\n

J. Huang (PD)<\/u><\/span>, L. Valenzano<\/u>, G. Sant, Framework and Channel Modifications in Mayenite (12CaO center dot 7Al(2)O(3)) Nanocages By Cationic Doping<\/em>, 2015, Chem. Mat., 27<\/strong>, 431-441<\/a><\/p>\n

J. Huang (PD)<\/u><\/span>, B. Wang, Y. Yu, L. Valenzano<\/u>, M. Bauchy, G. Sant, Electronic Origin of Doping-Induced Enhancements of Reactivity: Case Study of Tricalcium Silicate<\/em>, 2015, J. Phys. Chem. C, 119<\/strong>, 25991-25999<\/a><\/p>\n

K. Adhikari (PD)<\/u><\/span>, K.M. Flurchick, L. Valenzano*<\/u>, A Hybrid Density Functional Study on the Effects of Pressure on Paracetamol and Aspirin Polymorphs<\/em>, 2015, Computational and Theoretical Chemistry, 1062<\/strong>, 90-98<\/a><\/p>\n

K. Adhikari (PD)<\/u><\/span>, K.M. Flurchick, <\/span>L. Valenzano*<\/u>, <\/span>Volumetric influence on the mechanical behavior of organic solids: The case of aspirin and paracetamol addressed via dispersion corrected DFT<\/em>, 2015, Chem. Phys. Lett., 630<\/strong>, 44-50<\/a><\/span><\/p>\n

K. Adhikari (PD)<\/u><\/span>, K.M. Flurchick, L. Valenzano*<\/u>, Effects of Volumetric Expansion in Molecular Crystals: A Quantum Mechanical Investigation on Aspirin and Paracetamol Most Stable Polymorphs<\/em>, 2015, Chem. Phys. Lett., 621<\/strong>, <\/em>Pages 109\u2013116<\/a><\/p>\n

J. Huang (PD)<\/u><\/span>, <\/span>L. Valenzano<\/u>, T.V. Singh, R. Pandey, G.N. Sant, <\/span>The Influence of (Mg, Al, Fe) Impurities on Triclinic Ca3<\/sub>SiO5<\/sub>: Interpretations from First Principles Calculations<\/em>, 2014, Crys. Growth & Des.<\/a><\/span>, <\/em>14<\/strong>, 2158-2171<\/em><\/p>\n

S. Chavan, F. Bonino, L. Valenzano<\/u>, B. Civalleri, C. Lamberti, N. Acerbi, J. Cavka, M. Leistner, S. Bordiga, Fundamental Aspects of H2<\/sub>S Adsorption on CPO-27-Ni<\/em>, 2013, J. Chem. Phys. C, 117<\/strong>, 15615-15622<\/a><\/p>\n

D. Gianolio, J.G. Vitillo, B. Civalleri, S. Bordiga, U. Olsbye, K.P. Lillerud, L. Valenzano<\/u>, C. Lamberti, Combined Study of Structural Properties on Metal-Organic Frameworks with Same Topology but Different Linkers or Metal<\/em>, 15th<\/sup> International Conference on X-ray Absorption Fine Structure (XAFS15), 2013, Journal of Physics: Conference Series, 430<\/strong>, 012134<\/a><\/p>\n

Zhu, J. Bi, G. Vegesna, J. Zhang, F.-T. Luo, L. Valenzano*<\/u>, H. Liu, Functionalization of BODIPY Dyes at 2,6-Positions through Formyl Groups,<\/em> 2013, <\/em>RSC Advances, 3<\/strong>, 4793-4800<\/a><\/p>\n

Zhang, S. Zhu, L. Valenzano<\/u>, F.-T. Luo, H. Liu, BODIPY-based Ratiometric Fluorescent Probes for Sensitive and Selective Sensing of Cyanide Ion, 2013, <\/em>RSC Advances 3<\/strong>, 68-74<\/a><\/p>\n

A. J. Kennedy (UG)<\/u><\/span>, L. Valenzano*<\/u>, Computational Prediction of the Behavior of MOF-74 under Hydrated Conditions<\/em>, 2012, Am. Chem. Soc., Div. Fuel Chem., 57<\/strong> (1), 913-916<\/p>\n

C. Tan, B. Civalleri, C.-C. Lin, L. Valenzano<\/u>, R. Galvelis, P.-F. Chen, T.-D. Bennet, C. Mellot-Draznieks, C. M. Zicovich-Wilson, A. K. Cheetham, Elasticity of Sodalite ZIF-8: a Porous Metal-Organic Framework Material with an Exceptionally Low Shear Modulus<\/em>, 2012, Phys. Rev. Lett. 108<\/strong>, 095502<\/a><\/p>\n

Chavan, J. G. Vitillo, D. Gianoglio, O. Zavorotynska, B. Civalleri, S. Jakobsen, M.H. Nilsen, L. Valenzano<\/u>, C. Lamberti, K. P. Lillerud, S. Bordiga, H2<\/sub> storage in isostructural UiO-67 and UiO-66 MOFs<\/em>, 2012, PCCP<\/em>, 14<\/strong>, 1614<\/a><\/p>\n

F. Perger, W. J. Slough, L. Valenzano<\/u>, K. M. Flurchick, Calculation of the vibrational spectra of RDX as a function of pressure using the Grimme DFT potential<\/em>, 2012, AIP Conf. Proc. 1426, 571<\/a><\/p>\n

Valenzano<\/u>, W. J. Slough, W. F. Perger, <\/span>Accurate Prediction of Second-Order Elastic Constants from First Principles: PETN and TATB<\/em>, 2012, AIP Conf. Proc. 1426, 1191<\/a><\/span><\/p>\n

Criswell, W. F. Perger, K. M. Flurchick, L. Valenzano<\/u>, W. J. Slough, The effect of a simulated volumetric expansion: Calculated vibrational properties and elastic constants of pentaerythritol<\/em>, 2012, AIP Conf. Proc. 1426, 1179<\/a><\/p>\n

W. J. Slough, L. Valenzano<\/u>, W. F. Perger, The terahertz infrared spectrum of cyclotrimethylenetrinitramine: targeting anharmonic modes for the fingerprinting and detection of RDX<\/em>, 2012, AIP Conf. Proc. 1426, 1219<\/a><\/p>\n

M. Flurchick, W. F. Perger, W. J. Slough, L. Valenzano<\/u>, Gamma phase RDX: vibrational features providing insight into the alpha-gamma phase transition<\/em>, 2012, AIP Conf. Proc. 1426, 567<\/a><\/p>\n

L. Valenzano<\/u>, B. Civalleri, S. Chavan, G.T. Palomino, C.O. Arean, S. Bordiga, Computational and experimental studies on the adsorption of CO, N2<\/sub> and CO2<\/sub> on Mg-MOF-74<\/em>, 2010, J. Phys. Chem. C<\/em>, 114<\/strong>, 11185-11191<\/a><\/p>\n

L. Valenzano<\/u>, B. Civalleri, S. Chavan, S. Bordiga, M. Nilsen, S. Jakobsen, K.P. Lillerud, C. Lamberti, Disclosing the complex structure of UiO-66: a synergic combination of experiment and theory<\/em>, 2011, Chem. <\/em>Mater., <\/em>23<\/strong>, 1700-1718<\/a><\/p>\n

Bardelli, M. Benvenuti, P. Costagliola, F. Di Benedetto, P. Lattanzi, C. Meneghini, M. Romanelli, L. Valenzano<\/u>, Arsenic uptake by natural calcite: an XAS study<\/em>, 2011, Geo. <\/em>Cosmo. Acta, <\/em>75<\/strong>,<\/em> 3011\u20133023<\/a><\/p>\n

L. Valenzano<\/u>, J. G. Vitillo, S. Chavan, B. Civalleri, F. Bonino, S. Bordiga, C. Lamberti, Structure-activity relationships of simple molecules adsorbed on CPO-27-Ni Metal-Organic Framework: in situ experiments vs. theory<\/em>, 2011, Catal. Today, <\/em>182<\/strong>, 67<\/a><\/p>\n

L. Valenzano<\/u>, B. Civalleri, W. F. Perger, Ab-initio fully periodic characterization of MOF-74-M (M=Mg, Mn, Ni, Zn): Structures and Enthalpies of Adsorption<\/em>, 2011, MRS Online Proceedings Library, 1366, mrss11-1366-uu11-04 doi:10.1557\/opl.2011.1329<\/a><\/p>\n

L. Valenzano<\/u>, B. Civalleri, K. Sillar, J. Sauer, Heat of adsorption of CO and CO2<\/sub> in metal-organic frameworks: Quantum mechanical study of CPO-27-M (M = Mg, Ni, Zn)<\/em>, 2011, J. Phys. Chem. C, <\/em>115<\/strong>, 21777<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

Publications since at Michigan Tech (h-index = 18 as per October 2017)   PD = postdoc, GR = graduate student, UG = undergraduate student   D. Degaga (GR), L. Valenzano*, Part II: Quantum mechanical prediction of heats of adsorption for C2-C4 hydrocarbons in MOF-74-Mg\/Zn periodic structures, 2017, Chemical Physics Letters, 682, 168-174 D. Degaga (GR), L. Valenzano*, Part I: C2-C4<\/p>\n","protected":false},"author":2,"featured_media":0,"parent":23,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-61","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/pages\/61","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/comments?post=61"}],"version-history":[{"count":16,"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/pages\/61\/revisions"}],"predecessor-version":[{"id":199,"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/pages\/61\/revisions\/199"}],"up":[{"embeddable":true,"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/pages\/23"}],"wp:attachment":[{"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/media?parent=61"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}