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 Hydrocarbons Separation Addressed via Molecular Cluster Models Carved Out From Periodic MOF-74-Mg/Zn Structures, 2016, Chemical Physics Letters, 660, 313-319

J. Zhang, M. Yang, W. Mazi, K. Adhikari (PD), M. Fang, F. Xie, L. Valenzano*, A. Tiwari, F.-T. Luo, H. Liu, Unusual Fluorescent Responses of Morpholine-functionalized Fluorescent Probes to pH via Manipulation of BODIPY’s HOMO and LUMO Energy Orbitals for Intracellular pH Detection, 2015, ACS Sensors, 1, 158-165

J. Huang (PD), L. Valenzano, G. Sant, Framework and Channel Modifications in Mayenite (12CaO center dot 7Al(2)O(3)) Nanocages By Cationic Doping, 2015, Chem. Mat., 27, 431-441

J. Huang (PD), B. Wang, Y. Yu, L. Valenzano, M. Bauchy, G. Sant, Electronic Origin of Doping-Induced Enhancements of Reactivity: Case Study of Tricalcium Silicate, 2015, J. Phys. Chem. C, 119, 25991-25999

K. Adhikari (PD), K.M. Flurchick, L. Valenzano*, A Hybrid Density Functional Study on the Effects of Pressure on Paracetamol and Aspirin Polymorphs, 2015, Computational and Theoretical Chemistry, 1062, 90-98

K. Adhikari (PD), K.M. Flurchick, L. Valenzano*, Volumetric influence on the mechanical behavior of organic solids: The case of aspirin and paracetamol addressed via dispersion corrected DFT, 2015, Chem. Phys. Lett., 630, 44-50

K. Adhikari (PD), K.M. Flurchick, L. Valenzano*, Effects of Volumetric Expansion in Molecular Crystals: A Quantum Mechanical Investigation on Aspirin and Paracetamol Most Stable Polymorphs, 2015, Chem. Phys. Lett., 621, Pages 109–116

J. Huang (PD), L. Valenzano, T.V. Singh, R. Pandey, G.N. Sant, The Influence of (Mg, Al, Fe) Impurities on Triclinic Ca3SiO5: Interpretations from First Principles Calculations, 2014, Crys. Growth & Des., 14, 2158-2171

S. Chavan, F. Bonino, L. Valenzano, B. Civalleri, C. Lamberti, N. Acerbi, J. Cavka, M. Leistner, S. Bordiga, Fundamental Aspects of H2S Adsorption on CPO-27-Ni, 2013, J. Chem. Phys. C, 117, 15615-15622

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

Zhu, J. Bi, G. Vegesna, J. Zhang, F.-T. Luo, L. Valenzano*, H. Liu, Functionalization of BODIPY Dyes at 2,6-Positions through Formyl Groups, 2013, RSC Advances, 3, 4793-4800

Zhang, S. Zhu, L. Valenzano, F.-T. Luo, H. Liu, BODIPY-based Ratiometric Fluorescent Probes for Sensitive and Selective Sensing of Cyanide Ion, 2013, RSC Advances 3, 68-74

A. J. Kennedy (UG), L. Valenzano*, Computational Prediction of the Behavior of MOF-74 under Hydrated Conditions, 2012, Am. Chem. Soc., Div. Fuel Chem., 57 (1), 913-916

C. Tan, B. Civalleri, C.-C. Lin, L. Valenzano, 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, 2012, Phys. Rev. Lett. 108, 095502

Chavan, J. G. Vitillo, D. Gianoglio, O. Zavorotynska, B. Civalleri, S. Jakobsen, M.H. Nilsen, L. Valenzano, C. Lamberti, K. P. Lillerud, S. Bordiga, H2 storage in isostructural UiO-67 and UiO-66 MOFs, 2012, PCCP, 14, 1614

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

Valenzano, W. J. Slough, W. F. Perger, Accurate Prediction of Second-Order Elastic Constants from First Principles: PETN and TATB, 2012, AIP Conf. Proc. 1426, 1191

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

W. J. Slough, L. Valenzano, W. F. Perger, The terahertz infrared spectrum of cyclotrimethylenetrinitramine: targeting anharmonic modes for the fingerprinting and detection of RDX, 2012, AIP Conf. Proc. 1426, 1219

M. Flurchick, W. F. Perger, W. J. Slough, L. Valenzano, Gamma phase RDX: vibrational features providing insight into the alpha-gamma phase transition, 2012, AIP Conf. Proc. 1426, 567

L. Valenzano, B. Civalleri, S. Chavan, G.T. Palomino, C.O. Arean, S. Bordiga, Computational and experimental studies on the adsorption of CO, N2 and CO2 on Mg-MOF-74, 2010, J. Phys. Chem. C, 114, 11185-11191

L. Valenzano, 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, 2011, Chem. Mater., 23, 1700-1718

Bardelli, M. Benvenuti, P. Costagliola, F. Di Benedetto, P. Lattanzi, C. Meneghini, M. Romanelli, L. Valenzano, Arsenic uptake by natural calcite: an XAS study, 2011, Geo. Cosmo. Acta, 75, 3011–3023

L. Valenzano, 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, 2011, Catal. Today, 182, 67

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

L. Valenzano, B. Civalleri, K. Sillar, J. Sauer, Heat of adsorption of CO and CO2 in metal-organic frameworks: Quantum mechanical study of CPO-27-M (M = Mg, Ni, Zn), 2011, J. Phys. Chem. C, 115, 21777