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1

Quantum Mechanical Studies of Large Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles and Clusters

Fernando, Amendra, Weerawardene, K. L. Dimuthu M., Karimova, Natalia V., Aikens, Christine M.

Journal:

Chemical Reviews

Year:

2015

Language:

english

File:

PDF, 23.82 MB

english, 2015

2

Theoretical Investigation of the Electrochemical Mechanism of Water Splitting on a Titanium Oxide Cluster Model

Pandey, Lila B., Aikens, Christine M.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 4.61 MB

english, 2012

3

Reversible Switching of Magnetism in Thiolate-Protected Au 25 Superatoms

Zhu, Manzhou, Aikens, Christine M., Hendrich, Michael P., Gupta, Rupal, Qian, Huifeng, Schatz, George C., Jin, Rongchao

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 301 KB

english, 2009

4

Electronic structure methods for studying surface-enhanced Raman scattering

Jensen, Lasse, Aikens, Christine M., Schatz, George C.

Journal:

Chemical Society Reviews

Year:

2008

Language:

english

File:

PDF, 1.09 MB

english, 2008

5

Correlating the Crystal Structure of A Thiol-Protected Au 25 Cluster and Optical Properties

Zhu, Manzhou, Aikens, Christine M., Hollander, Frederick J., Schatz, George C., Jin, Rongchao

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 376 KB

english, 2008

6

Effects of Mn doping on (TiO2)n (n=2–5) complexes

Lee, Choongkeun, Aikens, Christine M.

Journal:

Computational and Theoretical Chemistry

Year:

2013

Language:

english

File:

PDF, 1023 KB

english, 2013

7

Improved ReaxFF Force Field Parameters for Au–S–C–H Systems

Bae, Gyun-Tack, Aikens, Christine M.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 3.35 MB

english, 2013

8

Parents' Reactions to Adolescents' Suicide Attempts

WAGNER, BARRY M., AIKEN, CHRISTINE, MULLALEY, P. MICHELLE, TOBIN, JAMES J.

Journal:

Journal of the American Academy of Child & Adolescent Psychiatry

Year:

2000

Language:

english

File:

PDF, 782 KB

english, 2000

9

Rethinking the Pregnancy Planning Paradigm: Unintended Conceptions or Unrepresentative Concepts?

Aiken, Abigail R.A., Borrero, Sonya, Callegari, Lisa S., Dehlendorf, Christine

Journal:

Perspectives on Sexual and Reproductive Health

Year:

2016

Language:

english

File:

PDF, 127 KB

english, 2016

10

Theoretical Investigation of Water Oxidation Catalysis by a Model Manganese Cubane Complex

Fernando, Amendra, Aikens, Christine M.

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 17.63 MB

english, 2016

11

Diphosphine-Protected Ultrasmall Gold Nanoclusters: Opened Icosahedral Au13 and Heart-Shaped Au8 Clusters

Zhang, Shanshan, Feng, Lei, Senanayake, Ravithree, Aikens, Christine M., Wang, Xing-Po, Zhao, Quanqin, Tung, Chen-Ho, Sun, Di

Journal:

Chemical Science

Year:

2017

Language:

english

File:

PDF, 1.69 MB

english, 2017

12

Chiroptical Activity in BINAP– and DIOP– Stabilized Octa– and Undecagold Clusters

Karimova, Natalia V., Aikens, Christine M.

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 2.12 MB

english, 2018

13

[Au18(dppm)6Cl4]4+: Phosphine-Protected Gold Nanocluster with Rich Charge States

Zhang, Shanshan, Senanayake, Ravithree, Zhao, Quanqin, Su, Hai-Feng, Aikens, Christine M., Wang, Xing-Po, Tung, Chen-Ho, Sun, Di, Zheng, Lansun

Journal:

Dalton Transactions

Year:

2019

Language:

english

File:

PDF, 896 KB

english, 2019

14

Luminescence and Electron Dynamics in Atomically Precise Nanoclusters with 8 Superatomic Electrons

Weerawardene, K. L. Dimuthu M., Pandeya, Pratima, Zhou, Meng, Chen, Yuxiang, Jin, Rongchao, Aikens, Christine M.

Journal:

Journal of the American Chemical Society

Year:

2019

Language:

english

File:

PDF, 2.84 MB

english, 2019

15

A 34âElectron Superatom Ag78 Cluster with Regioselective Ternary Ligands Shells and Its 2D Rhombic Superlattice Assembly

Zhang, WEN-JING, LIU, zhen, Song, kepeng, Aikens, Christine M., Zhang, shanshan, WANG, zhi, TUNG, CHEN-HO, Sun, Di

Journal:

Angewandte Chemie International Edition

Year:

2020

File:

PDF, 11.80 MB

2020

16

Silver Nanoparticles with Broad Multiband Linear Optical Absorption

Osman M. Bakr, Vincenzo Amendola, Christine M. Aikens, Wim Wenseleers, Rui Li, Luca Dal Negro, George C. Schatz, Francesco Stellacci

Journal:

Angewandte Chemie

Year:

2009

Language:

english

File:

PDF, 526 KB

english, 2009

17

Silver Nanoparticles with Broad Multiband Linear Optical Absorption

Osman M. Bakr, Vincenzo Amendola, Christine M. Aikens, Wim Wenseleers, Rui Li, Luca Dal Negro, George C. Schatz, Francesco Stellacci

Journal:

Angewandte Chemie International Edition

Year:

2009

Language:

english

File:

PDF, 527 KB

english, 2009

18

Electronic Structure and Magnetic Properties of Y2Ti(μ-X)2TiY2 (X, Y: H, F, Cl, Br) Isomers.

Christine M. Aikens, Mark S. Gordon

Journal:

Year:

2003

File:

PDF, 59 KB

2003

19

A derivation of the frozen-orbital unrestricted open-shell and restricted closed-shell second-order perturbation theory analytic gradient expressions

Christine M. Aikens, Simon P. Webb, Rob L. Bell, Graham D. Fletcher, Michael W. Schmidt, Mark S. Gordon

Journal:

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

Year:

2003

Language:

english

File:

PDF, 454 KB

english, 2003

20

Nodulisporic acid side-Chain modifications: access to the 2″, 3″, 4″, and 6″ registers

Prasun K. Chakravarty, Thomas L. Shih, Steven L. Colletti, Michelle B. Ayer, Christine Snedden, Howard Kuo, Sriram Tyagarajan, Lynn Gregory, Michelle Zakson-Aiken, Wesley L. Shoop, Dennis M. Schmatz,

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2003

Language:

english

File:

PDF, 169 KB

english, 2003

21

Influence of Multi-atom Bridging Ligands on the Electronic Structure and Magnetic Properties of Homodinuclear Titanium Molecules

Aikens, Christine M., Gordon, Mark S.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 737 KB

english, 2005

22

Electronic Structure and Magnetic Properties of Y2Ti(μ-X)2TiY2 (X, YH, F, Cl, Br) Isomers

Aikens, Christine M., Gordon, Mark S.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 409 KB

english, 2003

23

Theoretical analysis of the optical excitation spectra of silver and gold nanowires

Guidez, Emilie B., Aikens, Christine M.

Journal:

Year:

2012

Language:

english

File:

PDF, 936 KB

english, 2012

24

CT and MR Imaging Characteristics of Acute Invasive Fungal Sinusitis: Subtle imaging signs of early disease

Eli R. Groppo, Ivan H. El-Sayed, Ashley H. Aiken, Christine M. Glastonbury

Journal:

The Laryngoscope

Year:

2010

Language:

english

File:

PDF, 545 KB

english, 2010

25

TDDFT Studies of Absorption and SERS Spectra of Pyridine Interacting with Au20

Aikens, Christine M., Schatz, George C.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 302 KB

english, 2006

26

Binding of carboxylates to gold nanoparticles: A theoretical study of the adsorption of formate on Au20

Makenzie R. Provorse, Christine M. Aikens

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 792 KB

english, 2012

27

Structure and Stability of (TiO 2 ) n , (SiO 2 ) n , and Mixed Ti m Si n − m O 2 n [ n = 2−5, m = 1 to ( n − 1)] Clusters

Bandyopadhyay, Indrajit, Aikens, Christine M.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.42 MB

english, 2011

28

Northwestern University Initiative for Teaching NanoSciences (NUITNS): An Approach for Teaching Computational Chemistry to Engineering Undergraduate Students

Simeon, Tomekia, Aikens, Christine M., Tejerina, Baudilio, Schatz, George C.

Journal:

Journal of Chemical Education

Year:

2011

Language:

english

File:

PDF, 2.17 MB

english, 2011

29

Diameter Dependence of the Excitation Spectra of Silver and Gold Nanorods

Guidez, Emilie B., Aikens, Christine M.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 1.39 MB

english, 2013

30

Oxidation of Gold Clusters by Thiols

Barngrover, Brian M., Aikens, Christine M.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.76 MB

english, 2013

31

Raman spectroscopy: The effect of field gradient on SERS

Aikens, Christine M., Madison, Lindsey R., Schatz, George C.

Journal:

Nature Photonics

Year:

2013

Language:

english

File:

PDF, 612 KB

english, 2013

32

Time-Dependent Density Functional Theory Studies of Optical Properties of Ag Nanoparticles: Octahedra, Truncated Octahedra, and Icosahedra

Bae, Gyun-Tack, Aikens, Christine M.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 4.73 MB

english, 2012

33

Electronic Structure of Ligand-Passivated Gold and Silver Nanoclusters

Aikens, Christine M.

Journal:

The Journal of Physical Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 2.13 MB

english, 2011

34

Modelling small gold and silver nanoparticles with electronic structure methods

Aikens, Christine M.

Journal:

Molecular Simulation

Year:

2012

Language:

english

File:

PDF, 155 KB

english, 2012

35

Origin and TDDFT Benchmarking of the Plasmon Resonance in Acenes

Guidez, Emilie B., Aikens, Christine M.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 1.76 MB

english, 2013

36

X-ray Crystal Structure and Theoretical Analysis of Au 25– x Ag x (SCH 2 CH 2 Ph) 18– Alloy

Kumara, Chanaka, Aikens, Christine M., Dass, Amala

Journal:

The Journal of Physical Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 2.72 MB

english, 2014

37

From Discrete Electronic States to Plasmons: TDDFT Optical Absorption Properties of Agn (n = 10, 20, 35, 56, 84, 120) Tetrahedral Clusters

Aikens, Christine M., Li, Shuzhou, Schatz, George C.

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 1.58 MB

english, 2008

38

Theoretical Investigation of Water Oxidation Processes on Small Mn x Ti 2– x O 4 ( x = 0–2) Complexes

Lee, Choongkeun, Aikens, Christine M.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 8.49 MB

english, 2014

39

Chiral Electronic Transitions in Fluorescent Silver Clusters Stabilized by DNA

Swasey, Steven M., Karimova, Natalia, Aikens, Christine M., Schultz, Danielle E., Simon, Anna J., Gwinn, Elisabeth G.

Journal:

Year:

2014

Language:

english

File:

PDF, 1.77 MB

english, 2014

40

Plasmon resonance analysis with configuration interaction

Guidez, Emilie B., Aikens, Christine M.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.28 MB

english, 2014

41

Imaging Hodgkin and Non-Hodgkin Lymphoma in the Head and Neck

Aiken, Ashley H., Glastonbury, Christine

Journal:

Radiologic Clinics of North America

Year:

2008

Language:

english

File:

PDF, 2.23 MB

english, 2008

42

Thiolate Ligand Exchange Mechanisms of Au 1 and Subnanometer Gold Particle Au 11†

Hadley, Allison, Aikens, Christine M.

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 708 KB

english, 2010

43

Theoretical Investigation of Surface Reactions of Lactic Acid on MgO Clusters

Pandey, Lila B., Aikens, Christine M.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 340 KB

english, 2013

44

Parallel Unrestricted MP2 Analytic Gradients Using the Distributed Data Interface †

Aikens, Christine M., Gordon, Mark S.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 145 KB

english, 2004

45

Effects of Silver Doping on the Geometric and Electronic Structure and Optical Absorption Spectra of the Au 25– n Ag n (SH) 18– ( n = 1, 2, 4, 6, 8, 10, 12) Bimetallic Nanoclusters

Guidez, Emilie B., Mäkinen, Ville, Häkkinen, Hannu, Aikens, Christine M.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 2.28 MB

english, 2012

46

Chirality and Electronic Structure of the Thiolate-Protected Au 38 Nanocluster

Lopez-Acevedo, Olga, Tsunoyama, Hironori, Tsukuda, Tatsuya, Aikens, Christine M.

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 3.74 MB

english, 2010

47

TDDFT Investigation of Surface-Enhanced Raman Scattering of HCN and CN − on Ag 20†

Brewer, Kathryn E., Aikens, Christine M.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.17 MB

english, 2010

48

The Golden Pathway to Thiolate-Stabilized Nanoparticles: Following the Formation of Gold(I) Thiolate from Gold(III) Chloride

Barngrover, Brian M., Aikens, Christine M.

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 1.28 MB

english, 2012

49

TDDFT and CIS Studies of Optical Properties of Dimers of Silver Tetrahedra

Bae, Gyun-Tack, Aikens, Christine M.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 4.85 MB

english, 2012

50

Quantum mechanical origin of the plasmon: from molecular systems to nanoparticles

Guidez, Emilie B., Aikens, Christine M.

Journal:

Year:

2014

Language:

english

File:

PDF, 1.76 MB

english, 2014

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