5 research outputs found
How can ab initio simulations address risks in nanotech?
- Author
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Electronic and optical properties of gold-doped endohedral fullerenes
- Author
- A Dillon
- AZ AlZahrani
- C Gao
- G Henkelman
- G Kresse
- G Kresse
- G Kresse
- G Kresse
- GP Ralph
- H Sharma
- H Shinohara
- HS Shin
- J Heyd
- J Lu
- J Lu
- JP Perdew
- L Dai
- L Türker
- LJ Brennan
- M Cardona
- M Gajdoš
- M Guerrisi
- MS Dresserhaus
- NM Umran
- NS Phala
- PCF Soares
- PE Blöchl
- Q Burlingame
- Q Zeng
- RC Haddon
- RH Xie
- RO Abdaljalil
- S Dhiman
- S Dhiman
- S Dhiman
- T He
- TJ Norman
- VP Bubnov
- W Shen
- X Zhu
- Y Li
- Y Rubin
- Y Wang
- Z Lou
- Š Antonín
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
A density functional study on the adsorption of hydrogen molecule onto small copper clusters
- Author
- A Corma
- A Hualei Zhang
- A Ipatov
- A Nijamudheen
- A Szabo
- AE Reed
- AE Reed
- AS Shalabi
- B Assadollahzadeha
- B Hajgató
- C Majumder
- C Majumder
- C Massobrio
- CF Melius
- CW Bauschlicher
- E Janssens
- E Kadossov
- EM Fernandez
- F Wang
- GAO-BIN LIU
- GB Kim
- GH Guvelioglu
- GH Guvelioglu
- GJ Kubas
- GJ Kubas
- GJ Kubas
- GJ Kubas
- H Hakkinen
- H Orita
- J Autschbach
- J Zhao
- JG Han
- JG Han
- JG Han
- JG Han
- JL Yang
- JM Ricart
- K Yamaguchi
- K Yamaguchi
- K Yamaguchi
- KA Hoang
- KA Jackson
- L Holmgren
- L Panas
- L Triguero
- LA Oliveira De
- LP Campos
- LP Campos
- M Bendikov
- M Kabir
- M Okumura
- M Okumura
- M Zhang
- MB Torres
- ME Eberhart
- NS Phala
- P Szarek
- PF Weck
- PK Jain
- RG Parr
- RG Parr
- RG Pearson
- RS Mulliken
- S Erkoc
- S Phala
- S Yamanaka
- S Zhao
- SN Datta
- TG Williams
- TH Upton
- U Lammers
- VA Spasov
- VA Spasov
- VB Kouteck
- VE Matulis
- WAD Heer
- X Ding
- X Wu
- XIANG-JUN KUANG
- XIN-QIANG WANG
- XJ Kuang
- YS Lee
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Catalytic mechanisms of Au11 and Au11-nPtn (n=1–2) clusters: a DFT investigation on the oxidation of CO by O2
- Author
- A Lechtken
- A Sanchez
- C Gonzalez
- C Gonzalez
- D Liu
- DC Meier
- DM Popolan
- DRM Godoi
- DW Yuan
- DW Yuan
- F Wang
- Feng Li
- G Bond
- G Mills
- G Zanti
- G Zanti
- GC Bond
- GC Bond
- GE Johnson
- H Hou
- H Sekhar De
- H Sekhar De
- H-Y Su
- J Cao
- J Gong
- J Zhang
- J-P Chou
- JM Seminario
- K Helios
- K Termentzidis
- M Haruta
- M Haruta
- M Mirdamadi-Esfahani
- M Okumura
- MJ Frisch
- N Nikbin
- NS Phala
- P Lu
- P Maksymovych
- PJ Hay
- Q Sun
- S Chrétien
- S Heiles
- S-L Peng
- SD Senanayake
- TA Baker
- TE Shubina
- TS Kim
- VS Bryantsev
- W Chen
- W Liu
- WR Wadt
- X Guo
- Xueli Cheng
- Y Dong
- Y Zhang
- Y Zhang
- Y Zhao
- Y-F Li
- Y-R Zhao
- Yanyun Zhao
- Yongjun Liu
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Growth Mechanism, Energetics and CO Affinities of Vanadium Doped Gold Clusters, AunV with n = 1−20
- Author
- A Lechtken
- A Sanchez
- AD Becke
- AD Becke
- AD Becke
- AH Pakiari
- AM Joshi
- B Assadollahzadeh
- C Adamo
- C Barreteau
- C Lee
- C Majumder
- C Majumder
- C Song
- CJ Cramer
- D Die
- D Die
- D Die
- DM Popolan
- DW Yuan
- EM Fernández
- EM Fernández
- EM Fernández
- F Baletto
- G Blyholder
- H Handschuh
- H Häkkinen
- H Häkkinen
- H Tanaka
- HJ Zhai
- HL Schmider
- HM Lee
- HT Le
- HY Zhao
- J Autschbach
- J Graciani
- J Hagen
- J Ho
- J Li
- J Tao
- J Wang
- JC Idrobo
- JC Riboh
- JN Harvey
- JP Perdew
- JP Perdew
- K Hansen
- K Jug
- K Raghavachari
- KA Peterson
- KA Peterson
- KE Shafer-Peltier
- KJ Taylor
- L Lin
- L Lin
- L Xiao
- LD Socaciu
- LM Wang
- LM Wang
- LM Wang
- M Ernzerhof
- M Haruta
- M Haruta
- M Iseda
- M Neumaier
- M Neumaier
- M Neumaier
- M Stener
- M Valden
- M Zhang
- MB Knickelbein
- MD Morse
- MM Sadek
- MP Johansson
- MP Johansson
- MX Chen
- NK Jena
- NS Phala
- P Gruene
- P Pyykkö
- P Pyykkö
- P Schwerdtfeger
- P Schwerdtfeger
- P Schwerdtfeger
- PJ Stephens
- PV Nhat
- RJ Bartlett
- T Davran-Candan
- T Höltzl
- T Höltzl
- T Schwabe
- TM Bernhardt
- TM Bernhardt
- TP Martin
- VB Koutecký
- VN Staroverov
- WT Wallace
- X Li
- X Li
- X Wu
- XB Li
- Y Fu
- Y Gao
- Y Han
- Y Zhao
- Y Zhao
- YL Wang
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- 01/01/2014
- Field of study
status: publishe