Gagliardi, Rebecca: search on Z-Library

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1

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

Year:

2016

Language:

english

File:

PDF, 1.15 MB

english, 2016

2

The System Effect: Scaling High-Impact Practices Across Campuses

Gagliardi, Jonathan S., Martin, Rebecca R., Wise, Kathleen, Blaich, Charles

Journal:

New Directions for Higher Education

Year:

2015

Language:

english

File:

PDF, 266 KB

english, 2015

3

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

Year:

2017

Language:

english

File:

PDF, 681 KB

english, 2017

4

RoB-SPEO: A tool for assessing risk of bias in studies estimating the prevalence of exposure to occupational risk factors from the WHO/ILO Joint Estimates of the Work-related Burden of Disease and Injury

Pega, Frank, Norris, Susan L., Backes, Claudine, Bero, Lisa A., Descatha, Alexis, Gagliardi, Diana, Godderis, Lode, Loney, Tom, Modenese, Alberto, Morgan, Rebecca L., Pachito, Daniela, Paulo, Marilia

Journal:

Environment International

Year:

2020

File:

PDF, 760 KB

2020

5

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

Year:

2016

Language:

english

File:

PDF, 3.20 MB

english, 2016

6

Canopy structure affects temperature distributions and free convection in moss shoot systems

Rice, Steven K., Gagliardi, Thomas A., Krasa, Rebecca A.

Journal:

American Journal of Botany

Year:

2018

Language:

english

File:

PDF, 1.22 MB

english, 2018

7

Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems

Gagliardi, Laura, Truhlar, Donald G., Li Manni, Giovanni, Carlson, Rebecca K., Hoyer, Chad E., Bao, Junwei Lucas

Journal:

Accounts of Chemical Research

Year:

2017

Language:

english

File:

PDF, 854 KB

english, 2017

8

On-Top Pair Density as a Measure of Left–Right Correlation in Bond Breaking

Carlson, Rebecca K., Truhlar, Donald G., Gagliardi, Laura

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 4.25 MB

english, 2017

9

Identifying opportunities to support patient-centred care for ductal carcinoma in situ: qualitative interviews with clinicians

Nyhof, Bryanna B., Wright, Frances C., Look Hong, Nicole J., Groot, Gary, Helyer, Lucy, Meiers, Pamela, Quan, May Lynn, Baxter, Nancy N., Urquhart, Robin, Warburton, Rebecca, Gagliardi, Anna R.

Journal:

Year:

2020

File:

PDF, 561 KB

2020

10

Role of the Metal in the Bonding and Properties of Bimetallic Complexes Involving Manganese, Iron, and Cobalt

Tereniak, Stephen J., Carlson, Rebecca K., Clouston, Laura J., Young, Victor G., Bill, Eckhard, Maurice, Rémi, Chen, Yu-Sheng, Kim, Hyun Jung, Gagliardi, Laura, Lu, Connie C.

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 3.22 MB

english, 2014

11

Pushing the Limits of Delta Bonding in Metal–Chromium Complexes with Redox Changes and Metal Swapping

Eisenhart, Reed J., Rudd, P. Alex, Planas, Nora, Boyce, David W., Carlson, Rebecca K., Tolman, William B., Bill, Eckhard, Gagliardi, Laura, Lu, Connie C.

Journal:

Inorganic Chemistry

Year:

2015

Language:

english

File:

PDF, 2.00 MB

english, 2015

12

A direct physical interaction between Nanog and Sox2 regulates embryonic stem cell self-renewal

Gagliardi, Alessia, Mullin, Nicholas P, Ying Tan, Zi, Colby, Douglas, Kousa, Anastasia I, Halbritter, Florian, Weiss, Jason T, Felker, Anastasia, Bezstarosti, Karel, Favaro, Rebecca, Demmers, Jeroen,

Journal:

The EMBO Journal

Year:

2013

Language:

english

File:

PDF, 936 KB

english, 2013

13

Multiconfiguration Pair-Density Functional Theory: Barrier Heights and Main Group and Transition Metal Energetics

Carlson, Rebecca K., Li Manni, Giovanni, Sonnenberger, Andrew L., Truhlar, Donald G., Gagliardi, Laura

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 327 KB

english, 2015

14

Bimetallic Cobalt–Dinitrogen Complexes: Impact of the Supporting Metal on N 2 Activation

Clouston, Laura J., Bernales, Varinia, Carlson, Rebecca K., Gagliardi, Laura, Lu, Connie C.

Journal:

Inorganic Chemistry

Year:

2015

Language:

english

File:

PDF, 2.08 MB

english, 2015

15

Can multiconfigurational self-consistent field theory and density functional theory correctly predict the ground state of metal-metal bonded complexes?

Carlson, Rebecca K, Odoh, Samuel O., Tereniak, Stephen J., Lu, Connie C, Gagliardi, Laura

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 12.24 MB

english, 2015

16

Multiconfiguration Pair-Density Functional Theory

Li Manni, Giovanni, Carlson, Rebecca K., Luo, Sijie, Ma, Dongxia, Olsen, Jeppe, Truhlar, Donald G., Gagliardi, Laura

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 1.66 MB

english, 2014

17

Recommendations to improve patient‐centred care for ductal carcinoma in situ: Qualitative focus groups with women

Nyhof, Bryanna B., Wright, Frances C., Look Hong, Nicole J., Groot, Gary, Helyer, Lucy, Meiers, Pamela, Quan, May Lynn, Baxter, Nancy N., Urquhart, Robin, Warburton, Rebecca, Gagliardi, Anna R.

Journal:

Health Expectations

Year:

2019

Language:

english

File:

PDF, 468 KB

english, 2019

18

Correction to Multiconfiguration Pair-Density Functional Theory

Li Manni, Giovanni, Carlson, Rebecca K., Luo, Sijie, Ma, Dongxia, Olsen, Jeppe, Truhlar, Donald G., Gagliardi, Laura

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 122 KB

english, 2015

19

A benchmarking program to reduce red blood cell outdating: implementation, evaluation, and a conceptual framework

Barty, Rebecca L., Gagliardi, Kathleen, Owens, Wendy, Lauzon, Deborah, Scheuermann, Sheena, Liu, Yang, Wang, Grace, Pai, Menaka, Heddle, Nancy M.

Journal:

Transfusion (Elsevier)

Year:

2015

Language:

english

File:

PDF, 426 KB

english, 2015

20

Synthesis and redox reactivity of a phosphine-ligated dichromium paddlewheel

Eisenhart, Reed J., Carlson, Rebecca K., Boyle, Kelsey M., Gagliardi, Laura, Lu, Connie C.

Journal:

Inorganica Chimica Acta

Year:

2015

Language:

english

File:

PDF, 1.37 MB

english, 2015

21

Separated-pair approximation and separated-pair pair-density functional theory

Odoh, Samuel O., Manni, Giovanni Li, Carlson, Rebecca K., Truhlar, Donald G., Gagliardi, Laura

Journal:

Chemical Science

Year:

2016

Language:

english

File:

PDF, 642 KB

english, 2016

22

Correction to Multiconfiguration Pair-Density Functional Theory: A Fully Translated Gradient Approximation and Its Performance for Transition Metal Dimers and the Spectroscopy of Re 2 Cl 82–

Carlson, Rebecca K., Truhlar, Donald G., Gagliardi, Laura

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 121 KB

english, 2016

23

Teaching companies how to be entrepreneurial: cultural change at all levels

Gillin, Laurence Murray, Gagliardi, Rebecca, Hougaz, Laura, Knowles, David, Langhammer, Michael

Journal:

Journal of Business Strategy

Year:

2018

Language:

english

File:

PDF, 156 KB

english, 2018

24

Correction to Multiconfiguration Pair-Density Functional Theory: Barrier Heights and Main Group and Transition Metal Energetics

Carlson, Rebecca K., Li Manni, Giovanni, Sonnenberger, Andrew L., Truhlar, Donald G., Gagliardi, Laura

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 121 KB

english, 2016

25

Factors affecting the frequency of red blood cell outdates: an approach to establish benchmarking targets

Nancy M. Heddle, Yang Liu, Rebecca Barty, Kathryn E. Webert, Susan Whittaker, Kate Gagliardi, Deborah Lauzon, Wendy Owens

Journal:

Transfusion (Wiley)

Year:

2009

Language:

english

File:

PDF, 409 KB

english, 2009

26

Predicting paramagnetic 1H NMR chemical shifts and state-energy separations in spin-crossover host–guest systems

Isley III, William C., Zarra, Salvatore, Carlson, Rebecca K., Bilbeisi, Rana A., Ronson, Tanya K., Nitschke, Jonathan R., Gagliardi, Laura, Cramer, Christopher J.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.35 MB

english, 2014

27

On-Top Ratio for Atoms and Molecules

Carlson, Rebecca K., Truhlar, Donald G., Gagliardi, Laura

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 1.67 MB

english, 2019

28

Influence of Copper Oxidation State on the Bonding and Electronic Structure of Cobalt–Copper Complexes

Eisenhart, Reed J., Carlson, Rebecca K., Clouston, Laura J., Young, Victor G., Chen, Yu-Sheng, Bill, Eckhard, Gagliardi, Laura, Lu, Connie C.

Journal:

Inorganic Chemistry

Year:

2015

Language:

english

File:

PDF, 2.87 MB

english, 2015

29

Recommendations to improve patient‐centred care for ductal carcinoma in situ: Qualitative focus groups with women

Nyhof, Bryanna B., Wright, Frances C., Look Hong, Nicole J., Groot, Gary, Helyer, Lucy, Meiers, Pamela, Quan, May Lynn, Baxter, Nancy N., Urquhart, Robin, Warburton, Rebecca, Gagliardi, Anna R.

Journal:

Health Expectations

Year:

2019

File:

PDF, 468 KB

2019

30

Structure and bonding of group 4-nickel heterobimetallics supported by 2-(diphenylphosphino)pyrrolide ligands

Dunn, Peter L., Carlson, Rebecca K., Gagliardi, Laura, Tonks, Ian A.

Journal:

Dalton Transactions

Year:

2016

Language:

english

File:

PDF, 2.25 MB

english, 2016

31

Multiconfiguration Pair-Density Functional Theory: a Fully Translated Gradient Approximation and its Performance for Transition Metal Dimers and the Spectroscopy of Re 2 Cl 82-

Carlson, Rebecca K, Truhlar, Donald G., Gagliardi, Laura

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 3.94 MB

english, 2015

32

Heterobimetallic Complexes That Bond Vanadium to Iron, Cobalt, and Nickel

Clouston, Laura J., Bernales, Varinia, Cammarota, Ryan C., Carlson, Rebecca K., Bill, Eckhard, Gagliardi, Laura, Lu, Connie C.

Journal:

Inorganic Chemistry

Year:

2015

Language:

english

File:

PDF, 2.31 MB

english, 2015

33

Interventions are needed to support patient–provider decision-making for DCIS: a scoping review

Kim, Claire, Liang, Laurel, Wright, Frances C., Hong, Nicole J. Look, Groot, Gary, Helyer, Lucy, Meiers, Pamela, Quan, May Lynn, Urquhart, Robin, Warburton, Rebecca, Gagliardi, Anna R.

Journal:

Breast Cancer Research and Treatment

Year:

2017

Language:

english

File:

PDF, 790 KB

english, 2017

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