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1

Linguistic features and automatic classifiers for identifying mild cognitive impairment and dementia

CalzÃ , Laura, Gagliardi, Gloria, Rossini Favretti, Rema, Tamburini, Fabio

Journal:

Computer Speech & Language

Année:

2021

Fichier:

PDF, 1.46 MB

2021

2

Actinide 2-metallabiphenylenes that satisfy HÃ¼ckelâs rule

Pagano, Justin K., Xie, Jing, Erickson, Karla A., Cope, Stephen K., Scott, Brian L., Wu, Ruilian, Waterman, Rory, Morris, David E., Yang, Ping, Gagliardi, Laura, Kiplinger, Jaqueline L.

Journal:

Année:

2020

Langue:

english

Fichier:

PDF, 4.15 MB

english, 2020

3

Critical perspectives on fashion textbooks: representations of race, gender, and body

Reddy-Best, Kelly L., Kane, Laura, Harmon, Jennifer, Gagliardi, Nika R.

Journal:

International Journal of Fashion Design Technology and Education

Année:

2017

Langue:

english

Fichier:

PDF, 1.47 MB

english, 2017

4

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks

Ongari, Daniele, Tiana, Davide, Stoneburner, Samuel J., Gagliardi, Laura, Smit, Berend

Journal:

The Journal of Physical Chemistry C

Année:

2017

Langue:

english

Fichier:

PDF, 7.06 MB

english, 2017

5

Understanding, Controlling and Programming Cooperativity in Self-Assembled Polynuclear Complexes in Solution

Thomas Riis-Johannessen, Natalia Dalla Favera, Tanya K. Todorova, Stefan M. Huber, Laura Gagliardi, Claude Piguet

Journal:

Chemistry - A European Journal

Année:

2009

Langue:

english

Fichier:

PDF, 940 KB

english, 2009

6

Accelerated Computational Analysis of Metal–Organic Frameworks for Oxidation Catalysis

Vogiatzis, Konstantinos D, Haldoupis, Emmanuel, Xiao, Dianne J., Long, Jeffrey R., Siepmann, J. Ilja, Gagliardi, Laura

Journal:

The Journal of Physical Chemistry C

Année:

2016

Langue:

english

Fichier:

PDF, 2.23 MB

english, 2016

7

Computationally-Guided Discovery of Catalytic Cobalt-Decorated Metal–Organic Framework for Ethylene Dimerization

Bernales, Varinia, League, Aaron B., Li, Zhanyong, Schweitzer, Neil M., Peters, Aaron W., Carlson, Rebecca K., Hupp, Joseph T., Cramer, Christopher J., Farha, Omar K., Gagliardi, Laura

Journal:

The Journal of Physical Chemistry C

Année:

2016

Langue:

english

Fichier:

PDF, 1.15 MB

english, 2016

8

Introduction: Carbon Capture and Separation

Vitillo, Jenny G., Smit, Berend, Gagliardi, Laura

Journal:

Chemical Reviews

Année:

2017

Langue:

english

Fichier:

PDF, 2.49 MB

english, 2017

9

Catalytic Descriptors and Electronic Properties of Single-Site Catalysts for Ethene Dimerization to 1-Butene

Pellizzeri, Steven, Barona, Melissa, Bernales, Varinia, Miró, Pere, Liao, Peilin, Gagliardi, Laura, Snurr, Randall Q., Getman, Rachel B.

Journal:

Catalysis Today

Année:

2018

Langue:

english

Fichier:

PDF, 1.43 MB

english, 2018

10

Introduction: Computational Design of Catalysts from Molecules to Materials

Ess, Daniel, Gagliardi, Laura, Hammes-Schiffer, Sharon

Journal:

Chemical Reviews

Année:

2019

Fichier:

PDF, 263 KB

2019

11

Relativistic Electronic Structure Theory. Part 1. Fundamentals. By Peter Schwerdtfeger.

Laura Gagliardi

Journal:

Angewandte Chemie International Edition

Année:

2004

Langue:

english

Fichier:

PDF, 75 KB

english, 2004

12

Spin–orbit coupling within a two-component density functional theory approach: theory, implementation and first applications

Laura Gagliardi, Bernd Schimmelpfennig, Laurent Maron, Ulf Wahlgren, Andrew Willetts

Journal:

Chemical Physics Letters

Année:

2001

Langue:

english

Fichier:

PDF, 73 KB

english, 2001

13

Molecular integrals by numerical quadrature. I. Radial integration

Roland Lindh, Per-Åke Malmqvist, Laura Gagliardi

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

2001

Langue:

english

Fichier:

PDF, 331 KB

english, 2001

14

Classifying Genus Two 3-Manifolds up to 34 Tetrahedra

Paola Bandieri, Carlo Gagliardi, Laura Ricci

Journal:

Acta Applicandae Mathematicae

Année:

2005

Langue:

english

Fichier:

PDF, 372 KB

english, 2005

15

On the Mechanism of the cis−trans Isomerization in the Lowest Electronic States of Azobenzene: S0, S1, and T1

Cembran, Alessandro, Bernardi, Fernando, Garavelli, Marco, Gagliardi, Laura, Orlandi, Giorgio

Journal:

Journal of the American Chemical Society

Année:

2004

Langue:

english

Fichier:

PDF, 531 KB

english, 2004

16

Biodeterioration agents dwelling in or on the wall paintings of the Holy Saviour’s cave (Vallerano, Italy)

Laura Zucconi, Manuela Gagliardi, Daniela Isola, Silvano Onofri, Maria Crocifissa Andaloro, Claudia Pelosi, Paola Pogliani, Laura Selbmann

Journal:

International Biodeterioration & Biodegradation

Année:

2012

Langue:

english

Fichier:

PDF, 996 KB

english, 2012

17

A Trigonal-Prismatic Hexanuclear Technetium(II) Bromide Cluster: Solid-State Synthesis and Crystallographic and Electronic Structure

Johnstone, Erik V., Grant, Daniel J., Poineau, Frederic, Fox, Laura, Forster, Paul M., Ma, Longzou, Gagliardi, Laura, Czerwinski, Kenneth R., Sattelberger, Alfred P.

Journal:

Inorganic Chemistry

Année:

2013

Langue:

english

Fichier:

PDF, 802 KB

english, 2013

18

Unravelling the Hydration Structure of ThX 4 (X = Br, Cl) Water Solutions by Molecular Dynamics Simulations and X-ray Absorption Spectroscopy

Spezia, Riccardo, Beuchat, Cesar, Vuilleumier, Rodolphe, D’Angelo, Paola, Gagliardi, Laura

Journal:

Journal of Physical Chemistry B

Année:

2012

Langue:

english

Fichier:

PDF, 3.09 MB

english, 2012

19

A density functional study of thorium tetrahalides

Gagliardi, Laura, Skylaris, Chris-Kriton, Willetts, Andrew, Dyke, John M., Barone, Vincenzo

Journal:

Physical Chemistry Chemical Physics

Année:

2000

Langue:

english

Fichier:

PDF, 89 KB

english, 2000

20

Hopping Transport and Rectifying Behavior in Long Donor–Acceptor Molecular Wires

Luo, Liang, Balhorn, Luke, Vlaisavljevich, Bess, Ma, Dongxia, Gagliardi, Laura, Frisbie, C. Daniel

Journal:

The Journal of Physical Chemistry C

Année:

2014

Langue:

english

Fichier:

PDF, 2.57 MB

english, 2014

21

Quantum-Chemical Characterization of the Properties and Reactivities of Metal–Organic Frameworks

Odoh, Samuel O., Cramer, Christopher J., Truhlar, Donald G., Gagliardi, Laura

Journal:

Chemical Reviews

Année:

2015

Langue:

english

Fichier:

PDF, 2.37 MB

english, 2015

22

Good survivorship of all-polyethylene tibial component UKA at long-term follow-up

Bruni, Danilo, Gagliardi, Michele, Akkawi, Ibrahim, Raspugli, Giovanni Francesco, Bignozzi, Simone, Marko, Tedi, Bragonzoni, Laura, Grassi, Alberto, Marcacci, Maurilio

Journal:

Knee Surgery, Sports Traumatology, Arthroscopy

Année:

2016

Langue:

english

Fichier:

PDF, 340 KB

english, 2016

23

Bdellovibrio bacteriovorus directly attacks Pseudomonas aeruginosa and Staphylococcus aureus Cystic fibrosis isolates

Iebba, Valerio, Totino, Valentina, Santangelo, Floriana, Gagliardi, Antonella, Ciotoli, Luana, Virga, Alessandra, Ambrosi, Cecilia, Pompili, Monica, De Biase, Riccardo V., Selan, Laura, Artini, Marco,

Journal:

Frontiers in Microbiology

Année:

2014

Langue:

english

Fichier:

PDF, 5.53 MB

english, 2014

24

Systematic Expansion of Active Spaces beyond the CASSCF Limit: A GASSCF/SplitGAS Benchmark Study

Vogiatzis, Konstantinos D., Li Manni, Giovanni, Stoneburner, Samuel J., Ma, Dongxia, Gagliardi, Laura

Journal:

Journal of Chemical Theory and Computation

Année:

2015

Langue:

english

Fichier:

PDF, 2.06 MB

english, 2015

25

Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

Aquilante, Francesco, Autschbach, Jochen, Carlson, Rebecca K., Chibotaru, Liviu F., Delcey, Mickaël G., De Vico, Luca, Fdez. Galván, Ignacio, Ferré, Nicolas, Frutos, Luis Manuel, Gagliardi, Laura, Gar

Journal:

Journal of Computational Chemistry

Année:

2016

Langue:

english

Fichier:

PDF, 3.20 MB

english, 2016

26

The role of the dorsolateral prefrontal cortex in early threat processing: a TMS study

Sagliano, Laura, D’Olimpio, Francesca, Panico, Francesco, Gagliardi, Serena, Trojano, Luigi

Journal:

Social Cognitive and Affective Neuroscience

Année:

2016

Langue:

english

Fichier:

PDF, 329 KB

english, 2016

27

Predicting Bond Dissociation Energies of Transition-Metal Compounds by Multiconfiguration Pair-Density Functional Theory and Second-Order Perturbation Theory Based on Correlated Participating Orbitals and Separated Pairs

Bao, Junwei Lucas, Odoh, Samuel O., Gagliardi, Laura, Truhlar, Donald G.

Journal:

Journal of Chemical Theory and Computation

Année:

2017

Langue:

english

Fichier:

PDF, 748 KB

english, 2017

28

Correction to “Computationally Guided Discovery of Catalytic Cobalt-Decorated Metal–Organic Framework for Ethylene Dimerization”

Bernales, Varinia, League, Aaron B., Li, Zhanyong, Schweitzer, Neil M., Peters, Aaron W., Carlson, Rebecca K., Hupp, Joseph T., Cramer, Christopher J., Farha, Omar K., Gagliardi, Laura

Journal:

The Journal of Physical Chemistry C

Année:

2017

Langue:

english

Fichier:

PDF, 681 KB

english, 2017

29

Electronic, magnetic and photophysical properties of MOFs and COFs: general discussion

Banerjee, Tanmay, Bennett, Thomas, Butler, Keith, Easun, Timothy L., Eddaoudi, Mohamed, Forgan, Ross, Gagliardi, Laura, Hendon, Christopher, Jorge, Miguel, Lamberti, Carlo, Lee, Jet-Sing M., Leus, Kar

Journal:

Faraday Discussions

Année:

2017

Langue:

english

Fichier:

PDF, 437 KB

english, 2017

30

Analytic Gradients for Complete Active Space Pair-Density Functional Theory

Sand, Andrew M., Hoyer, Chad E., Sharkas, Kamal, Kidder, Katherine Marie, Lindh, Roland, Truhlar, Donald G., Gagliardi, Laura

Journal:

Journal of Chemical Theory and Computation

Année:

2017

Langue:

english

Fichier:

PDF, 2.32 MB

english, 2017

31

LINGUISTIC MARKERS DURING SPONTANEOUS SPEECH FOR DETECTING MILD COGNITIVE IMPAIRMENT

Beltrami, Daniela, Gagliardi, Gloria, Favretti, Rema Rossini, Calzà, Laura, Tamburini, Fabio, Ghidoni, Enrico

Journal:

Alzheimer's & Dementia

Année:

2017

Langue:

english

Fichier:

PDF, 455 KB

english, 2017

32

Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems?

Pham, Hung Q., Bernales, Varinia, Gagliardi, Laura

Journal:

Journal of Chemical Theory and Computation

Année:

2018

Langue:

english

Fichier:

PDF, 2.70 MB

english, 2018

33

Pushing configuration-interaction to the limit: Towards massively parallel MCSCF calculations

Vogiatzis, Konstantinos D., Ma, Dongxia, Olsen, Jeppe, Gagliardi, Laura, de Jong, Wibe A.

Journal:

The Journal of Chemical Physics

Année:

2017

Langue:

english

Fichier:

PDF, 1.21 MB

english, 2017

34

What makes A. guillouiae SFC 500-1A able to co-metabolize phenol and Cr(VI)? A proteomic approach

Ontañon, Ornella Mailén, Landi, Claudia, Carleo, Alfonso, Gagliardi, Assunta, Bianchi, Laura, González, Paola Solange, Agostini, Elizabeth, Bini, Luca

Journal:

Journal of Hazardous Materials

Année:

2018

Langue:

english

Fichier:

PDF, 749 KB

english, 2018

35

Cerium Metal-Organic Framework for Photocatalysis

Wu, Xin-Ping, Gagliardi, Laura, Truhlar, Donald G.

Journal:

Journal of the American Chemical Society

Année:

2018

Langue:

english

Fichier:

PDF, 18.03 MB

english, 2018

36

Uranium(III)-carbon multiple bonding supported by arene δ-bonding in mixed-valence hexauranium nanometre-scale rings

Wooles, Ashley J., Mills, David P., Tuna, Floriana, McInnes, Eric J. L., Law, Gareth T. W., Fuller, Adam J., Kremer, Felipe, Ridgway, Mark, Lewis, William, Gagliardi, Laura, Vlaisavljevich, Bess, Lidd

Journal:

Nature Communications

Année:

2018

Langue:

english

Fichier:

PDF, 2.40 MB

english, 2018

37

[IEEE 2018 IEEE International Symposium on Medical Measurements and Applications (MeMeA) - Rome (2018.6.11-2018.6.13)] 2018 IEEE International Symposium on Medical Measurements and Applications (MeMeA) - Subject-specific knee SAR prediction using a degenerate birdcage at 7T

Gagliardi, Vito, Retico, Alessandra, Biagi, Laura, Aringhieri, Giacomo, Zampa, Virna, Symms, M. R., Tiberi, Gianluigi, Tosetti, Michela

Année:

2018

Langue:

english

Fichier:

PDF, 2.10 MB

english, 2018

38

MiR-30e-3p influences tumor phenotype through MDM2/TP53 axis and predicts sorafenib resistance in hepatocellular carcinoma

Gramantieri, Laura, Pollutri, Daniela, Gagliardi, Martina, Giovannini, Catia, Quarta, Santina, Ferracin, Manuela, Casadei-Gardini, Andrea, Callegari, Elisa, De Carolis, Sabrina, Marinelli, Sara, Benev

Journal:

Cancer Research

Année:

2020

Fichier:

PDF, 12.81 MB

2020

39

Activation of RSK by phosphomimetic substitution in the activation loop is prevented by structural constraints

Somale, Desiana, Di Nardo, Giovanna, di Blasio, Laura, Puliafito, Alberto, Vara-Messler, Marianela, Chiaverina, Giulia, Palmiero, Miriam, Monica, Valentina, Gilardi, Gianfranco, Primo, Luca, Gagliardi

Journal:

Scientific Reports

Année:

2020

Langue:

english

Fichier:

PDF, 2.91 MB

english, 2020

40

Retraction of âPushing Single-Oxygen-Atom-Bridged Bimetallic Systems to the Right: A Cryptand-Encapsulated CoâOâCo Unitâ

Stauber, Julia M., Bloch, Eric D., Vogiatzis, Konstantinos D., Zheng, Shao-Liang, Hadt, Ryan G., Hayes, Dugan, Chen, Lin X., Gagliardi, Laura, Nocera, Daniel G., Cummins, Christopher C.

Journal:

Journal of the American Chemical Society

Année:

2020

Langue:

english

Fichier:

PDF, 280 KB

english, 2020

41

Extended separated-pair approximation for transition metal potential energy curves

Li, Shuhang J., Gagliardi, Laura, Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Année:

2020

Langue:

english

Fichier:

PDF, 3.52 MB

english, 2020

42

Maternal Dietary Exposure to Low-Dose Bisphenol A Affects Metabolic and Signaling Pathways in the Brain of Rat Fetuses

Tonini, Claudia, Segatto, Marco, Gagliardi, Simone, Bertoli, Simona, Leone, Alessandro, Barberio, Laura, MandalÃ , Maurizio, Pallottini, Valentina

Journal:

Année:

2020

Fichier:

PDF, 3.60 MB

2020

43

Standard Practices of Reticular Chemistry

Gropp, Cornelius, Canossa, Stefano, Wuttke, Stefan, GÃ¡ndara, Felipe, Li, Qiaowei, Gagliardi, Laura, Yaghi, Omar M.

Journal:

ACS Central Science

Année:

2020

Fichier:

PDF, 5.70 MB

2020

44

Direct-list algorithm for configuration interaction calculations

Gagliardi, Laura, Bendazzoli, Gian Luigi, Evangelisti, Stefano

Journal:

Journal of Computational Chemistry

Année:

1997

Langue:

english

Fichier:

PDF, 232 KB

english, 1997

45

Down-regulation of tumour gelatinase/inhibitor balance and preservation of tumour endothelium by an anti-metastatic ruthenium complex

Gianni Sava, Ilaria Capozzi, Alberta Bergamo, Renato Gagliardi, Moreno Cocchietto, Laura Masiero, Maurizio Onisto, Enzo Alessio, Giovanni Mestroni, Spiridione Garbisa

Journal:

International Journal of Cancer

Année:

1996

Langue:

english

Fichier:

PDF, 853 KB

english, 1996

46

Dissociation reaction of N8 azapentalene to 4N2: A theoretical study

Laura Gagliardi, Stefano Evangelisti, Anders Bernhardsson, Roland Lindh, Björn O. Roos

Journal:

International Journal of Quantum Chemistry

Année:

2000

Langue:

english

Fichier:

PDF, 358 KB

english, 2000

47

Human herpesvirus 6 infection in neoplastic and normal brain tissue

Laura Cuomo, Pankaj Trivedi, Maria Rosaria Cardillo, Franco Maria Gagliardi, Aldo Vecchione, Riccardo Caruso, Antonella Calogero, Luigi Frati, Alberto Faggioni, Giuseppe Ragona

Journal:

Journal of Medical Virology

Année:

2001

Langue:

english

Fichier:

PDF, 1.52 MB

english, 2001

48

Theoretical Search for Very Short Metal–Actinide Bonds: NUIr and Isoelectronic Systems

Laura Gagliardi, Pekka Pyykkö

Journal:

Angewandte Chemie

Année:

2004

Langue:

english

Fichier:

PDF, 100 KB

english, 2004

49

Relativistic Electronic Structure Theory. Part 1. Fundamentals. Herausgegeben von Peter Schwerdtfeger.

Laura Gagliardi

Journal:

Angewandte Chemie

Année:

2004

Langue:

german

Fichier:

PDF, 73 KB

german, 2004

50

A Quantum Chemical Study of the Quintuple Bond between Two Chromium Centers in [PhCrCrPh]: trans-Bent versus Linear Geometry

Marcin Brynda, Laura Gagliardi, Per-Olof Widmark, Philip P. Power, Björn O. Roos

Journal:

Angewandte Chemie

Année:

2006

Langue:

english

Fichier:

PDF, 279 KB

english, 2006