| Year |
Citation |
Score |
| 2023 |
Truttmann V, Loxha A, Banu R, Pittenauer E, Malola S, Matus MF, Wang Y, Ploetz EA, Rupprechter G, Bürgi T, Häkkinen H, Aikens C, Barrabés N. Directing Intrinsic Chirality in Gold Nanoclusters: Preferential Formation of Stable Enantiopure Clusters in High Yield and Experimentally Unveiling the "Super" Chirality of Au. Acs Nano. PMID 37805942 DOI: 10.1021/acsnano.3c06568 |
0.509 |
|
| 2023 |
Havenridge S, Rüger R, Aikens CM. Analytical excited state gradients for time-dependent density functional theory plus tight binding (TDDFT + TB). The Journal of Chemical Physics. 158. PMID 37290069 DOI: 10.1063/5.0142240 |
0.305 |
|
| 2023 |
Hull OA, Aikens CM. Theoretical Investigations on the Plasmon-Mediated Dissociation of Small Molecules in the Presence of Silver Atomic Wires. The Journal of Physical Chemistry. A. 127: 2228-2241. PMID 36862925 DOI: 10.1021/acs.jpca.2c07531 |
0.308 |
|
| 2022 |
Wang Y, Li A, Pinkerton J, Aikens CM. Effects of Diglyme on Au Nanocluster Formation: Mechanism, H NMR, and Bonding. The Journal of Physical Chemistry. A. PMID 36223604 DOI: 10.1021/acs.jpca.2c04218 |
0.318 |
|
| 2022 |
Havenridge S, Weerawardene KLDM, Aikens CM. Characterization of Pt-doping effects on nanoparticle emission: a theoretical look at AuPt(SH) and AuPt(SCH). Faraday Discussions. PMID 36222075 DOI: 10.1039/d2fd00110a |
0.328 |
|
| 2022 |
Liu Z, Oviedo MB, Wong BM, Aikens CM. Plasmon-induced excitation energy transfer in silver nanoparticle dimers: A real-time TDDFTB investigation. The Journal of Chemical Physics. 156: 154705. PMID 35459307 DOI: 10.1063/5.0082960 |
0.319 |
|
| 2022 |
Bae GT, Aikens CM. Time-dependent density functional theory study of the optical properties of tetrahedral aluminum nanoparticles. Journal of Computational Chemistry. 43: 1033-1041. PMID 35426447 DOI: 10.1002/jcc.26868 |
0.37 |
|
| 2021 |
Fagan JW, Weerawardene KLDM, Cirri A, Aikens CM, Johnson CJ. Toward quantitative electronic structure in small gold nanoclusters. The Journal of Chemical Physics. 155: 014301. PMID 34241394 DOI: 10.1063/5.0055210 |
0.349 |
|
| 2021 |
Pandeya P, Senanayake RD, Aikens CM. Nonradiative relaxation dynamics in the [AuAg(SH)] (n = 1, 12, 25) thiolate-protected nanoclusters. The Journal of Chemical Physics. 154: 184303. PMID 34241036 DOI: 10.1063/5.0045590 |
0.305 |
|
| 2020 |
Liu Z, Alkan F, Aikens CM. TD-DFTB study of optical properties of silver nanoparticle homodimers and heterodimers. The Journal of Chemical Physics. 153: 144711. PMID 33086806 DOI: 10.1063/5.0025672 |
0.322 |
|
| 2020 |
Matus MF, Malola S, Kinder Bonilla E, Barngrover BM, Aikens CM, Häkkinen H. A topological isomer of the Au(SR) nanocluster. Chemical Communications (Cambridge, England). PMID 32543631 DOI: 10.1039/D0Cc03334K |
0.588 |
|
| 2020 |
Senanayake RD, Aikens CM. Electronic relaxation dynamics in [Au(SR)] (R = CH, CH, CH, MPA, PET) thiolate-protected nanoclusters. Physical Chemistry Chemical Physics : Pccp. PMID 32095793 DOI: 10.1039/C9Cp04039K |
0.365 |
|
| 2020 |
Pandeya P, Aikens CM. Theoretical Analysis of Optical Absorption Spectra of Parallel Nanowire Dimers and Dolmen Trimers The Journal of Physical Chemistry C. 124: 13495-13507. DOI: 10.1021/Acs.Jpcc.0C04419.S001 |
0.436 |
|
| 2020 |
Hull OA, Lingerfelt DB, Li X, Aikens CM. Electronic Structure and Nonadiabatic Dynamics of Atomic Silver Nanowire–N2 Systems Journal of Physical Chemistry C. DOI: 10.1021/Acs.Jpcc.0C02979 |
0.373 |
|
| 2019 |
Weerawardene KLDM, Pandeya P, Zhou M, Chen Y, Jin R, Aikens CM. Luminescence and Electron Dynamics in Atomically Precise Nanoclusters with 8 Superatomic Electrons. Journal of the American Chemical Society. PMID 31679332 DOI: 10.1021/Jacs.9B07626 |
0.462 |
|
| 2019 |
Udayangani Kuda Singappulige G, Aikens CM. Geometrical and Electronic Structure, Stability and Optical Absorption Spectra Comparisons between Thiolate- and Chloride-Stabilized Gold Nanoclusters. The Journal of Physical Chemistry. A. PMID 31603684 DOI: 10.1021/Acs.Jpca.9B06598 |
0.43 |
|
| 2019 |
Alkan F, Aikens CM. Understanding plasmon coupling in nanoparticle dimers using molecular orbitals and configuration interaction. Physical Chemistry Chemical Physics : Pccp. PMID 31602447 DOI: 10.1039/C9Cp03890F |
0.365 |
|
| 2019 |
Senanayake RD, Aikens CM. Theoretical investigation of relaxation dynamics in the Au(SH) thiolate-protected gold nanocluster. The Journal of Chemical Physics. 151: 094702. PMID 31492077 DOI: 10.1063/1.5116902 |
0.449 |
|
| 2019 |
Weerawardene KLDM, Aikens CM. Theoretical Investigation of Water Oxidation Mechanism on Pure Manganese and Ca-Doped Bimetal Oxide Complexes. The Journal of Physical Chemistry. A. PMID 31241935 DOI: 10.1021/Acs.Jpca.9B02652 |
0.315 |
|
| 2019 |
Zhang SS, Alkan F, Su HF, Aikens CM, Tung CH, Sun D. [Ag48(C≡CtBu)20(CrO4)7]: An Atomically Precise Silver Nanocluster Co-Protected by Inorganic and Organic Ligands. Journal of the American Chemical Society. PMID 30779559 DOI: 10.1021/Jacs.9B00703 |
0.338 |
|
| 2019 |
Zhang SS, Senanayake RD, Zhao QQ, Su HF, Aikens CM, Wang XP, Tung CH, Sun D, Zheng LS. [Au(dppm)Cl]: a phosphine-protected gold nanocluster with rich charge states. Dalton Transactions (Cambridge, England : 2003). PMID 30747941 DOI: 10.1039/C9Dt00042A |
0.425 |
|
| 2019 |
Senanayake RD, Lingerfelt DB, Kuda-Singappulige GU, Li X, Aikens CM. Real-Time TDDFT Investigation of Optical Absorption in Gold Nanowires The Journal of Physical Chemistry C. 123: 14734-14745. DOI: 10.1021/Acs.Jpcc.9B00296 |
0.416 |
|
| 2019 |
Alkan F, Pandeya P, Aikens CM. Understanding the Effect of Doping on Energetics and Electronic Structure for Au25, Ag25, and Au38Clusters The Journal of Physical Chemistry C. 123: 9516-9527. DOI: 10.1021/Acs.Jpcc.9B00065 |
0.396 |
|
| 2019 |
Karimova NV, Aikens CM. Chiral Noble Metal Nanoparticles and Nanostructures Particle & Particle Systems Characterization. 36: 1900043. DOI: 10.1002/Ppsc.201900043 |
0.342 |
|
| 2018 |
Aikens CM. Electronic and Geometric Structure, Optical Properties, and Excited State Behavior in Atomically Precise Thiolate-Stabilized Noble Metal Nanoclusters. Accounts of Chemical Research. PMID 30444598 DOI: 10.1021/Acs.Accounts.8B00364 |
0.418 |
|
| 2018 |
Liu JY, Alkan F, Wang Z, Zhang Z, Kurmoo M, Yan Z, Zhao QQ, Aikens CM, Tung CH, Sun D. Different Silver Nanoparticles in One Crystal: Ag210(iPrPhS)71(Ph3P)5Cl and Ag211(iPrPhS)71(Ph3P)6Cl. Angewandte Chemie (International Ed. in English). PMID 30411441 DOI: 10.1002/Anie.201810772 |
0.346 |
|
| 2018 |
Alkan F, Aikens CM. TD-DFT and TD-DFTB Investigation of the Optical Properties and Electronic Structure of Silver Nanorods and Nanorod Dimers. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 122: 23639-23650. PMID 30364415 DOI: 10.1021/Acs.Jpcc.8B05196 |
0.43 |
|
| 2018 |
Zhang SS, Feng L, Senanayake RD, Aikens CM, Wang XP, Zhao QQ, Tung CH, Sun D. Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au and heart-shaped Au clusters. Chemical Science. 9: 1251-1258. PMID 29675171 DOI: 10.1039/C7Sc03566G |
0.462 |
|
| 2018 |
Weerawardene KLDM, Häkkinen H, Aikens CM. Connections Between Theory and Experiment for Gold and Silver Nanoclusters. Annual Review of Physical Chemistry. PMID 29490202 DOI: 10.1146/Annurev-Physchem-052516-050932 |
0.581 |
|
| 2018 |
Senanayake RD, Guidez EB, Neukirch AJ, Prezhdo OV, Aikens CM. Theoretical Investigation of Relaxation Dynamics in Au38(SH)24 Thiolate-Protected Gold Nanoclusters The Journal of Physical Chemistry C. 122: 16380-16388. DOI: 10.1021/Acs.Jpcc.8B03595 |
0.765 |
|
| 2018 |
Donati G, Lingerfelt DB, Aikens CM, Li X. Anisotropic Polarizability-Induced Plasmon Transfer The Journal of Physical Chemistry C. 122: 10621-10626. DOI: 10.1021/Acs.Jpcc.8B02425 |
0.384 |
|
| 2018 |
Karimova NV, Aikens CM. Chiroptical Activity in BINAP- and DIOP-Stabilized Octa- and Undecagold Clusters Journal of Physical Chemistry C. 122: 11051-11065. DOI: 10.1021/Acs.Jpcc.7B12264 |
0.398 |
|
| 2018 |
Weerawardene KLDM, Aikens CM. Origin of Photoluminescence of Ag25(SR)18– Nanoparticles: Ligand and Doping Effect The Journal of Physical Chemistry C. 122: 2440-2447. DOI: 10.1021/Acs.Jpcc.7B11706 |
0.46 |
|
| 2018 |
Weerawardene KDM, Aikens CM. Comparison and convergence of optical absorption spectra of noble metal nanoparticles computed using linear-response and real-time time-dependent density functional theories Computational and Theoretical Chemistry. 1146: 27-36. DOI: 10.1016/J.Comptc.2018.11.005 |
0.457 |
|
| 2017 |
Alkan F, Muñoz-Castro A, Aikens CM. Relativistic DFT investigation of electronic structure effects arising from doping the Au25 nanocluster with transition metals. Nanoscale. PMID 29019494 DOI: 10.1039/C7Nr05214F |
0.436 |
|
| 2017 |
Windus TL, Baldridge KK, Schmidt MW, Aikens CM. Preface: Mark S. Gordon. The Journal of Physical Chemistry. A. 121: 2715-2718. PMID 28403616 DOI: 10.1021/Acs.Jpca.7B00181 |
0.472 |
|
| 2017 |
Dale BB, Senanayake RD, Aikens CM. Research Update: Density functional theory investigation of the interactions of silver nanoclusters with guanine Apl Materials. 5: 053102. DOI: 10.1063/1.4977795 |
0.362 |
|
| 2017 |
Karimova NV, Aikens CM. Optical Properties of Small Gold Clusters Au8L82+ (L = PH3, PPh3): Magnetic Circular Dichroism Spectra Journal of Physical Chemistry C. 121: 19478-19489. DOI: 10.1021/Acs.Jpcc.7B05630 |
0.442 |
|
| 2017 |
Donati G, Lingerfelt DB, Aikens CM, Li X. Molecular Vibration Induced Plasmon Decay The Journal of Physical Chemistry C. 121: 15368-15374. DOI: 10.1021/Acs.Jpcc.7B04451 |
0.371 |
|
| 2017 |
Weerawardene KLDM, Guidez EB, Aikens CM. Photoluminescence Origin of Au38(SR)24 and Au22(SR)18 Nanoparticles: A Theoretical Perspective The Journal of Physical Chemistry C. 121: 15416-15423. DOI: 10.1021/Acs.Jpcc.7B01958 |
0.77 |
|
| 2016 |
Karimova NV, Aikens CM. Time Dependent Density Functional Theory Study of Magnetic Circular Dichroism Spectra of Gold Clusters Au9(PH3)8(3+) and Au9(PPh3)8(3). The Journal of Physical Chemistry. A. 120: 9625-9635. PMID 27933920 DOI: 10.1021/Acs.Jpca.6B10063 |
0.445 |
|
| 2016 |
Wang Z, Senanayake R, Aikens CM, Chen WM, Tung CH, Sun D. Gold-doped silver nanocluster [Au3Ag38(SCH2Ph)24X5](2-) (X = Cl or Br). Nanoscale. PMID 27747330 DOI: 10.1039/C6Nr06615A |
0.376 |
|
| 2016 |
Weerawardene KL, Aikens CM. Theoretical Insights into Origin of Photoluminescence of Au25(SR)18- Nanoparticles. Journal of the American Chemical Society. PMID 27524386 DOI: 10.1021/Jacs.6B05293 |
0.482 |
|
| 2016 |
Fernando A, Haddock T, Aikens CM. Theoretical Investigation of Water Oxidation on Fully Saturated Mn2O3 and Mn2O4 Complexes. The Journal of Physical Chemistry. A. PMID 27015543 DOI: 10.1021/Acs.Jpca.6B02280 |
0.596 |
|
| 2016 |
Fernando A, Shrestha TB, Liu Y, Malalasekera AP, Yu J, McLaurin EJ, Turro C, Bossmann SH, Aikens CM. Insights from Theory and Experiment on the Photochromic spiro-Dihydropyrrolo-Pyridazine/Betaine System. The Journal of Physical Chemistry. A. PMID 26812493 DOI: 10.1021/Acs.Jpca.5B10020 |
0.596 |
|
| 2016 |
Senanayake RD, Akimov AV, Aikens CM. Theoretical Investigation of Electron and Nuclear Dynamics in the [Au25(SH)18]−1 Thiolate-Protected Gold Nanocluster The Journal of Physical Chemistry C. 121: 10653-10662. DOI: 10.1021/Acs.Jpcc.6B09731 |
0.449 |
|
| 2016 |
Fernando A, Aikens CM. Deciphering the Ligand Exchange Process on Thiolate Monolayer Protected Au38(SR)24Nanoclusters The Journal of Physical Chemistry C. 120: 14948-14961. DOI: 10.1021/Acs.Jpcc.6B04516 |
0.636 |
|
| 2016 |
Fernando A, Aikens CM. Theoretical Investigation of Water Oxidation Catalysis by a Model Manganese Cubane Complex The Journal of Physical Chemistry C. 120: 21148-21161. DOI: 10.1021/Acs.Jpcc.6B03029 |
0.577 |
|
| 2016 |
Fernando A, Aikens CM. Correction to “Reaction Pathways for Water Oxidation to Molecular Oxygen Mediated by Model Cobalt Oxide Dimer and Cubane Catalysts” The Journal of Physical Chemistry C. 120: 5271-5271. DOI: 10.1021/Acs.Jpcc.6B01606 |
0.559 |
|
| 2016 |
Weerawardene KLDM, Aikens CM. Effect of Aliphatic versus Aromatic Ligands on the Structure and Optical Absorption of Au20(SR)16 The Journal of Physical Chemistry C. 120: 8354-8363. DOI: 10.1021/Acs.Jpcc.6B01011 |
0.422 |
|
| 2015 |
Fernando A, Aikens CM. Ab initio electronic structure study of a model water splitting dimer complex. Physical Chemistry Chemical Physics : Pccp. 17: 32443-32454. PMID 26593689 DOI: 10.1039/C5Cp04112K |
0.662 |
|
| 2015 |
Fernando A, Malalasekera AP, Yu J, Shrestha TB, McLaurin EJ, Bossmann SH, Aikens CM. Refined Insights in the Photochromic Spiro-Dihydroindolizine/Betaine System. The Journal of Physical Chemistry. A. PMID 26307896 DOI: 10.1021/Acs.Jpca.5B05262 |
0.624 |
|
| 2015 |
Weerawardene KL, Aikens CM. Strong Tunable Visible Absorption Predicted for Polysilo-acenes Using TDDFT Calculations. The Journal of Physical Chemistry Letters. 3341-3345. PMID 26266968 DOI: 10.1021/Acs.Jpclett.5B01446 |
0.344 |
|
| 2015 |
Lee C, Aikens CM. Water Splitting Processes on Mn4O4 and CaMn3O4 Model Cubane Systems. The Journal of Physical Chemistry. A. 119: 9325-37. PMID 26258478 DOI: 10.1021/Acs.Jpca.5B03170 |
0.332 |
|
| 2015 |
Karimova NV, Aikens CM. Time-Dependent Density Functional Theory Investigation of the Electronic Structure and Chiroptical Properties of Curved and Helical Silver Nanowires. The Journal of Physical Chemistry. A. 119: 8163-73. PMID 26067276 DOI: 10.1021/Acs.Jpca.5B03312 |
0.367 |
|
| 2015 |
Fernando A, Weerawardene KL, Karimova NV, Aikens CM. Quantum Mechanical Studies of Large Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles and Clusters. Chemical Reviews. 115: 6112-216. PMID 25898274 DOI: 10.1021/Cr500506R |
0.611 |
|
| 2015 |
Guidez EB, Aikens CM. Time-dependent density functional theory study of the luminescence properties of gold phosphine thiolate complexes. The Journal of Physical Chemistry. A. 119: 3337-47. PMID 25793466 DOI: 10.1021/Jp5104033 |
0.74 |
|
| 2015 |
Neidhart SM, Barngrover BM, Aikens CM. Theoretical examination of solvent and R group dependence in gold thiolate nanoparticle synthesis. Physical Chemistry Chemical Physics : Pccp. 17: 7676-80. PMID 25690701 DOI: 10.1039/C4Cp04314F |
0.393 |
|
| 2015 |
Barngrover BM, Manges TJ, Aikens CM. Prediction of nonradical Au(0)-containing precursors in nanoparticle growth processes. The Journal of Physical Chemistry. A. 119: 889-95. PMID 25580885 DOI: 10.1021/Jp509676A |
0.378 |
|
| 2015 |
Fernando A, Aikens CM. Reaction pathways for water oxidation to molecular oxygen mediated by model cobalt oxide dimer and cubane catalysts Journal of Physical Chemistry C. 119: 11072-11085. DOI: 10.1021/Jp511805X |
0.614 |
|
| 2015 |
Fernando A, Aikens CM. Ligand Exchange Mechanism on Thiolate Monolayer Protected Au25(SR)18 Nanoclusters Journal of Physical Chemistry C. 119: 20179-20187. DOI: 10.1021/Acs.Jpcc.5B06833 |
0.642 |
|
| 2015 |
Bae GT, Aikens CM. Time-Dependent Density Functional Theory Studies of Optical Properties of Au Nanoparticles: Octahedra, Truncated Octahedra, and Icosahedra Journal of Physical Chemistry C. 119: 23127-23137. DOI: 10.1021/Acs.Jpcc.5B05978 |
0.459 |
|
| 2015 |
Luo H, Tuinenga C, Guidez EB, Lewis C, Shipman J, Roy S, Aikens CM, Chikan V. Synthesis and characterization of gallium-doped CdSe quantum dots Journal of Physical Chemistry C. 119: 10749-10757. DOI: 10.1021/Acs.Jpcc.5B01963 |
0.688 |
|
| 2015 |
Peng B, Lingerfelt DB, Ding F, Aikens CM, Li X. Real-time TDDFT studies of exciton decay and transfer in silver nanowire arrays Journal of Physical Chemistry C. 119: 6421-6427. DOI: 10.1021/Acs.Jpcc.5B00263 |
0.365 |
|
| 2014 |
Kumara C, Aikens CM, Dass A. X-ray Crystal Structure and Theoretical Analysis of Au25-xAgx(SCH2CH2Ph)18(-) Alloy. The Journal of Physical Chemistry Letters. 5: 461-6. PMID 26276593 DOI: 10.1021/Jz402441D |
0.372 |
|
| 2014 |
Nimmala PR, Knoppe S, Jupally VR, Delcamp JH, Aikens CM, Dass A. Au36(SPh)24 nanomolecules: X-ray crystal structure, optical spectroscopy, electrochemistry, and theoretical analysis. The Journal of Physical Chemistry. B. 118: 14157-67. PMID 25315687 DOI: 10.1021/Jp506508X |
0.354 |
|
| 2014 |
Guidez EB, Aikens CM. Quantum mechanical origin of the plasmon: from molecular systems to nanoparticles. Nanoscale. 6: 11512-27. PMID 25163494 DOI: 10.1039/C4Nr02225D |
0.747 |
|
| 2014 |
Ding F, Guidez EB, Aikens CM, Li X. Quantum coherent plasmon in silver nanowires: a real-time TDDFT study. The Journal of Chemical Physics. 140: 244705. PMID 24985666 DOI: 10.1063/1.4884388 |
0.741 |
|
| 2014 |
Guidez EB, Aikens CM. Plasmon resonance analysis with configuration interaction. Physical Chemistry Chemical Physics : Pccp. 16: 15501-9. PMID 24953630 DOI: 10.1039/C4Cp01365D |
0.724 |
|
| 2014 |
Swasey SM, Karimova N, Aikens CM, Schultz DE, Simon AJ, Gwinn EG. Chiral electronic transitions in fluorescent silver clusters stabilized by DNA. Acs Nano. 8: 6883-92. PMID 24897004 DOI: 10.1021/Nn5016067 |
0.338 |
|
| 2014 |
Lee C, Aikens CM. Theoretical investigation of water oxidation processes on small Mn(x)Ti(2-x)O4 (x = 0-2) complexes. The Journal of Physical Chemistry. A. 118: 8204-21. PMID 24673718 DOI: 10.1021/Jp501002X |
0.309 |
|
| 2014 |
Lee C, Aikens CM. Water adsorption and dissociation processes on small Mn-doped TiO2 complexes. The Journal of Physical Chemistry. A. 118: 598-605. PMID 24392800 DOI: 10.1021/Jp410049J |
0.364 |
|
| 2013 |
Bae GT, Aikens CM. Improved ReaxFF force field parameters for Au-S-C-H systems. The Journal of Physical Chemistry. A. 117: 10438-46. PMID 24041237 DOI: 10.1021/Jp405992M |
0.406 |
|
| 2013 |
Barngrover BM, Aikens CM. Oxidation of gold clusters by thiols. The Journal of Physical Chemistry. A. 117: 5377-84. PMID 23738918 DOI: 10.1021/Jp403633A |
0.371 |
|
| 2013 |
Pandey LB, Aikens CM. Theoretical investigation of surface reactions of lactic acid on MgO clusters. The Journal of Physical Chemistry. A. 117: 765-70. PMID 23320848 DOI: 10.1021/Jp309801B |
0.347 |
|
| 2013 |
Guidez EB, Aikens CM. Origin and TDDFT benchmarking of the plasmon resonance in acenes Journal of Physical Chemistry C. 117: 21466-21475. DOI: 10.1021/Jp4059033 |
0.74 |
|
| 2013 |
Guidez EB, Aikens CM. Diameter dependence of the excitation spectra of silver and gold nanorods Journal of Physical Chemistry C. 117: 12325-12336. DOI: 10.1021/Jp4023103 |
0.741 |
|
| 2013 |
Lee C, Aikens CM. Effects of Mn doping on (TiO2)n (n=2-5) complexes Computational and Theoretical Chemistry. 1013: 32-45. DOI: 10.1016/J.Comptc.2013.03.001 |
0.304 |
|
| 2012 |
Bae GT, Aikens CM. TDDFT and CIS studies of optical properties of dimers of silver tetrahedra. The Journal of Physical Chemistry. A. 116: 8260-9. PMID 22838848 DOI: 10.1021/Jp305330E |
0.361 |
|
| 2012 |
Barngrover BM, Aikens CM. The golden pathway to thiolate-stabilized nanoparticles: following the formation of gold(I) thiolate from gold(III) chloride. Journal of the American Chemical Society. 134: 12590-5. PMID 22827488 DOI: 10.1021/Ja303050S |
0.395 |
|
| 2012 |
Hull JM, Provorse MR, Aikens CM. Formyloxyl radical-gold nanoparticle binding: a theoretical study. The Journal of Physical Chemistry. A. 116: 5445-52. PMID 22616955 DOI: 10.1021/Jp212284W |
0.408 |
|
| 2012 |
Guidez EB, Aikens CM. Theoretical analysis of the optical excitation spectra of silver and gold nanowires. Nanoscale. 4: 4190-8. PMID 22495627 DOI: 10.1039/C2Nr30253E |
0.722 |
|
| 2012 |
Guidez EB, Aikens CM. Development of a charge-perturbed particle-in-a-sphere model for nanoparticle electronic structure. Physical Chemistry Chemical Physics : Pccp. 14: 4287-95. PMID 22333960 DOI: 10.1039/C2Cp23889F |
0.764 |
|
| 2012 |
Pandey LB, Aikens CM. Theoretical investigation of the electrochemical mechanism of water splitting on a titanium oxide cluster model. The Journal of Physical Chemistry. A. 116: 526-35. PMID 22148637 DOI: 10.1021/Jp207128A |
0.377 |
|
| 2012 |
Magrakvelidze M, Aikens CM, Thumm U. Dissociation dynamics of diatomic molecules in intense laser fields: A scheme for the selection of relevant adiabatic potential curves Physical Review a - Atomic, Molecular, and Optical Physics. 86. DOI: 10.1103/Physreva.86.023402 |
0.318 |
|
| 2012 |
Aikens CM. Modelling small gold and silver nanoparticles with electronic structure methods Molecular Simulation. 38: 607-614. DOI: 10.1080/08927022.2012.671522 |
0.438 |
|
| 2012 |
Guidez EB, Mäkinen V, Häkkinen H, Aikens CM. Effects of silver doping on the geometric and electronic structure and optical absorption spectra of the Au 25- nAg n(SH) 18 - (n = 1, 2, 4, 6, 8, 10, 12) bimetallic nanoclusters Journal of Physical Chemistry C. 116: 20617-20624. DOI: 10.1021/Jp306885U |
0.777 |
|
| 2012 |
Provorse MR, Aikens CM. Binding of carboxylates to gold nanoparticles: A theoretical study of the adsorption of formate on Au 20 Computational and Theoretical Chemistry. 987: 16-21. DOI: 10.1016/J.Comptc.2011.11.027 |
0.403 |
|
| 2011 |
Aikens CM. Electronic Structure of Ligand-Passivated Gold and Silver Nanoclusters. The Journal of Physical Chemistry Letters. 2: 99-104. PMID 26295527 DOI: 10.1021/Jz101499G |
0.447 |
|
| 2011 |
Barngrover BM, Aikens CM. Incremental binding energies of gold(I) and silver(I) thiolate clusters. The Journal of Physical Chemistry. A. 115: 11818-23. PMID 21942461 DOI: 10.1021/Jp2061893 |
0.398 |
|
| 2011 |
Ivanov SA, Arachchige I, Aikens CM. Density functional analysis of geometries and electronic structures of gold-phosphine clusters. The case of Au4(PR3)42+ and A(u4μ2-I)2(PR3)4. The Journal of Physical Chemistry. A. 115: 8017-31. PMID 21678946 DOI: 10.1021/Jp200346C |
0.443 |
|
| 2011 |
Bandyopadhyay I, Aikens CM. Structure and stability of (TiO2)n, (SiO2)n, and mixed Ti(m)Si(n-m)O(2n) [n = 2-5, m = 1 to (n - 1)] clusters. The Journal of Physical Chemistry. A. 115: 868-79. PMID 21204533 DOI: 10.1021/Jp109412U |
0.325 |
|
| 2011 |
Barngrover BM, Aikens CM. Electron and hydride addition to gold(I) thiolate oligomers: Implications for gold-thiolate nanoparticle growth mechanisms Journal of Physical Chemistry Letters. 2: 990-994. DOI: 10.1021/Jz200310P |
0.431 |
|
| 2011 |
Guidez EB, Hadley A, Aikens CM. Initial growth mechanisms of Gold-phosphine clusters Journal of Physical Chemistry C. 115: 6305-6316. DOI: 10.1021/Jp112388Q |
0.709 |
|
| 2010 |
Brewer KE, Aikens CM. TDDFT investigation of surface-enhanced Raman scattering of HCN and CN(-) on Ag(20). The Journal of Physical Chemistry. A. 114: 8858-63. PMID 20560591 DOI: 10.1021/Jp1025174 |
0.386 |
|
| 2010 |
Lopez-Acevedo O, Tsunoyama H, Tsukuda T, Häkkinen H, Aikens CM. Chirality and electronic structure of the thiolate-protected Au38 nanocluster. Journal of the American Chemical Society. 132: 8210-8. PMID 20499877 DOI: 10.1021/Ja102934Q |
0.586 |
|
| 2010 |
Provorse MR, Aikens CM. Origin of intense chiroptical effects in undecagold subnanometer particles. Journal of the American Chemical Society. 132: 1302-10. PMID 20050686 DOI: 10.1021/Ja906884M |
0.362 |
|
| 2010 |
Aikens CM. Geometric and electronic structure of Au25(SPhX) 18 - (X = H, F, Cl, Br, CH3, and OCH 3) Journal of Physical Chemistry Letters. 1: 2594-2599. DOI: 10.1021/Jz1009828 |
0.437 |
|
| 2010 |
Hadley A, Aikens CM. Thiolate ligand exchange mechanisms of Au1 and subnanometer gold particle Au11 Journal of Physical Chemistry C. 114: 18134-18138. DOI: 10.1021/Jp911054E |
0.361 |
|
| 2009 |
Aikens CM. Effects of core distances, solvent, ligand, and level of theory on the TDDFT optical absorption spectrum of the thiolate-protected Au(25) nanoparticle. The Journal of Physical Chemistry. A. 113: 10811-7. PMID 19746959 DOI: 10.1021/Jp9051853 |
0.41 |
|
| 2009 |
Bakr OM, Amendola V, Aikens CM, Wenseleers W, Li R, Dal Negro L, Schatz GC, Stellacci F. Silver nanoparticles with broad multiband linear optical absorption. Angewandte Chemie (International Ed. in English). 48: 5921-6. PMID 19582740 DOI: 10.1002/Anie.200900298 |
0.367 |
|
| 2009 |
Mayer A, González AL, Aikens CM, Schatz GC. A charge-dipole interaction model for the frequency-dependent polarizability of silver clusters. Nanotechnology. 20: 195204. PMID 19420635 DOI: 10.1088/0957-4484/20/19/195204 |
0.358 |
|
| 2009 |
Johnson HE, Aikens CM. Electronic structure and TDDFT optical absorption spectra of silver nanorods. The Journal of Physical Chemistry. A. 113: 4445-50. PMID 19296635 DOI: 10.1021/Jp811075U |
0.422 |
|
| 2009 |
Zhu M, Aikens CM, Hendrich MP, Gupta R, Qian H, Schatz GC, Jin R. Reversible switching of magnetism in thiolate-protected Au25 superatoms. Journal of the American Chemical Society. 131: 2490-2. PMID 19178295 DOI: 10.1021/Ja809157F |
0.419 |
|
| 2008 |
Jensen L, Aikens CM, Schatz GC. Electronic structure methods for studying surface-enhanced Raman scattering. Chemical Society Reviews. 37: 1061-73. PMID 18443690 DOI: 10.1039/B706023H |
0.334 |
|
| 2008 |
Zhu M, Aikens CM, Hollander FJ, Schatz GC, Jin R. Correlating the crystal structure of a thiol-protected Au25 cluster and optical properties. Journal of the American Chemical Society. 130: 5883-5. PMID 18407639 DOI: 10.1021/Ja801173R |
0.403 |
|
| 2008 |
Aikens CM. Origin of discrete optical absorption spectra of M 25(SH) 18 - nanoparticles (M = Au, Ag) Journal of Physical Chemistry C. 112: 19797-19800. DOI: 10.1021/Jp8090914 |
0.427 |
|
| 2008 |
Aikens CM, Li S, Schatz GC. From discrete electronic states to plasmons: TDDFT optical absorption properties of Agn (n = 10, 20, 35, 56, 84, 120) tetrahedral clusters Journal of Physical Chemistry C. 112: 11272-11279. DOI: 10.1021/Jp802707R |
0.388 |
|
| 2006 |
Aikens CM, Schatz GC. TDDFT studies of absorption and SERS spectra of pyridine interacting with Au20. The Journal of Physical Chemistry. A. 110: 13317-24. PMID 17149852 DOI: 10.1021/Jp065206M |
0.442 |
|
| 2006 |
Aikens CM, Gordon MS. Incremental solvation of nonionized and zwitterionic glycine. Journal of the American Chemical Society. 128: 12835-50. PMID 17002379 DOI: 10.1021/Ja062842P |
0.477 |
|
| 2006 |
Aikens CM, Fletcher GD, Schmidt MW, Gordon MS. Scalable implementation of analytic gradients for second-order Z-averaged perturbation theory using the distributed data interface. The Journal of Chemical Physics. 124: 14107. PMID 16409024 DOI: 10.1063/1.2140688 |
0.428 |
|
| 2005 |
Aikens CM, Gordon MS. Influence of multi-atom bridging ligands on the electronic structure and magnetic properties of homodinuclear titanium molecules. The Journal of Physical Chemistry. A. 109: 11885-901. PMID 16366640 DOI: 10.1021/Jp058191L |
0.507 |
|
| 2004 |
Aikens CM, Gordon MS. Parallel Unrestricted MP2 Analytic Gradients Using the Distributed Data Interface Journal of Physical Chemistry A. 108: 3103-3110. DOI: 10.1021/Jp031142T |
0.456 |
|
| 2003 |
Aikens CM, Gordon MS. Electronic structure and magnetic properties of Y2Ti(μ-X)2TiY2 (X, Y=H, F, Cl, Br) isomers Journal of Physical Chemistry A. 107: 104-114. DOI: 10.1021/jp021537x |
0.326 |
|
| 2003 |
Aikens CM, Gordon MS. Electronic Structure and Magnetic Properties of Y2Ti(μ-X)2TiY2 (X, Y: H, F, Cl, Br) Isomers. Cheminform. 34. DOI: 10.1021/Jp021537X |
0.531 |
|
| 2003 |
Aikens CM, Webb SP, Bell RL, Fletcher GD, Schmidt MW, Gordon MS. A derivation of the frozen-orbital unrestricted open-shell and restricted closed-shell second-order perturbation theory analytic gradient expressions Theoretical Chemistry Accounts. 110: 233-253. DOI: 10.1007/S00214-003-0453-3 |
0.673 |
|
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