12 research outputs found
IR spectroscopic characterization of the co-adsorption of CO2 and H2 onto cationic Cun+ clusters
- Publication venue
- 'Royal Society of Chemistry (RSC)'
- Publication date
- 01/01/2021
- Field of study
Get PDFNWOTheoretical Chemistr
Comparison of Cinchona Catalysts Containing Ethyl or Vinyl or Ethynyl Group at Their Quinuclidine Ring
- Author
- Publication venue
- 'MDPI AG'
- Publication date
- 18/09/2019
- Field of study
Get PDFComment on “Tuning Magnetic Moments by 3d Transition-Metal-Doped Au 6
- Author
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
No full textThe Aromatic 8-Electron Cubic Silicon Clusters Be@Si 8
- Author
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
No full textMechanism of Water Addition to Silatriafulvenes and Silapentafulvenes
- Author
- Apeloig Y.
- Baron P. A.
- Bendikov M.
- Betrand G.
- Bird C. W.
- Bird C. W.
- Bird C. W.
- Bird C. W.
- Brook A. G.
- Burk P.
- Collier W.
- El-Nahas A. M.
- Frisch M.
- Gordy W.
- Guselnikov L. E.
- Gusenlnikov L. E.
- Hajgató B.
- Höltzl T.
- Ichinohe M.
- Leigh W. J.
- Möllerstedt H.
- Nyulászi L.
- Saebø S.
- Sakamoto K.
- Sakamoto K.
- Schleyer P.v.R.
- Takahashi M.
- Toulokhonova I. S.
- Veszprémi T.
- Veszprémi T.
- Veszprémi T.
- West R.
- Wiberg N.
- Wiberg N.
- Zhou Z.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
No full textGrowth 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
No full textstatus: publishe
Characterization and Quantification of Polyradical Character
- Author
- Alcoba D. R.
- Bachler V.
- Cheng M.-J.
- Clark A. E.
- Cristian A.-M. C.
- Eloy Ramos-Cordoba
- Herebian D.
- Herrmann C.
- Herrmann C.
- Höltzl T.
- Jung Y.
- Kamada K.
- Kemnitz C. R.
- Krylov A.
- Kutzelnigg W.
- Lain L.
- Lain L.
- Lardin H. A.
- Lopez X.
- Matito E.
- Mayer I.
- Mayer I.
- Neuhaus P.
- Nguyen H. M. T.
- Nguyen H. M. T.
- Noodleman L.
- Noodleman L.
- Pedro Salvador
- Rajca A.
- Ramos-Cordoba E.
- Ramos-Cordoba E.
- Ramos-Cordoba E.
- Reiher M.
- Salem L.
- Salvador P.
- Seierstad M.
- Slipchenko L. V.
- Slipchenko L. V.
- Staroverov V. N.
- Staroverov V. N.
- Staroverov V. N.
- Takatsuka K.
- Wang T.
- Yoshizawa K.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
No full textSynthesizability of the Heavy Analogues of Disubstituted Cyclopropenylidene: A Theoretical Study
- Author
- Achkasova E.
- Achkasova E.
- Apeloig Y.
- Arduengo A. J.
- Arduengo A. J. III
- Arduengo A. J. III.
- Becke A. D.
- Birza P.
- Blakeman P.
- Boehme C.
- DeHope A.
- Denk M.
- Denk M.
- Denk M.
- Denk M. K.
- Diez-Gonzales S.
- Dunning T. H.
- Frenking G.
- Frisch M. J.
- Gleiter R.
- Glendening E. D.
- Glendening E. D.
- Gordon M. S.
- Head-Gordon M.
- Hehre W. J.
- Heinemann C.
- Herges R.
- Herrmann W. A.
- Hill N. J.
- Holschumacher D.
- Höltzl T.
- Ikutaa S.
- Irikura K. K.
- Johnson L. E.
- Jonas V
- Kassaee M. Z.
- Kassaee Z. M.
- Kassaee Z. M.
- Kira M.
- Kirmse W.
- Krogh-Jespersen M.
- Kühl O.
- Lavallo V.
- Lee C.
- Lee T. J.
- Leites A. L.
- Luke B. T.
- Maier G.
- Maier G.
- Maier G.
- Malrieu J.-P.
- Maxka J.
- Nyulászi L.
- Oláh J.
- Oláh J.
- Reisenauer H. P.
- Schmidt M. W.
- Schumann H.
- Scuseria E. G.
- Shimizu H.
- Stephens P. J.
- Su -D. M.
- Trinquier G.
- Trinquier G.
- Veszprémi T.
- Veszprémi T.
- Veszprémi T.
- Vrtilek J. M.
- Walsh R.
- Walsh R.
- Wanzlick H.-W.
- Wilt J. W.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
No full textImpurity Electron Localization in Early-Transition-Metal-Doped Gold Clusters
- Author
- A. Langenberg
- Assadollahzadeh B.
- B. v. Issendorff
- Bucher J.
- Cowan R. D.
- de Groot F. M. F.
- de Groot F. M. F.
- de Heer W. A.
- de Heer W. A.
- Ehrhardt C.
- Fernández E. M.
- Fernández E. M.
- Giannozzi P.
- Hirsch K.
- Hirsch K.
- Hirsch K.
- Hirsch K.
- Huheey J. E.
- Häkkinen H.
- Häkkinen H.
- Häkkinen H.
- Höltzl T.
- Iglesias L.
- J. Rittmann
- J. T. Lau
- Janssens E.
- Janssens E.
- Janssens E.
- Janssens E.
- Janssens E.
- K. Hirsch
- Knight W. D.
- Langenberg A.
- Lau J. T.
- Lau J. T.
- Li X.
- Löwdin P.-O.
- Löwdin P.-O.
- M. Vogel
- Mulliken R. S.
- Neukermans S.
- Niemeyer M.
- Perdew J. P.
- Peredkov S.
- S. Forin
- Slater J. C.
- Stavitski E.
- Sugar J.
- T. Möller
- Torres M. B.
- V. Zamudio-Bayer
- van der Laan G.
- van der Laan G.
- Vogel M.
- Wang L.-M.
- Zamudio-Bayer V.
- Zhai H.-J.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
No full textAromatic Phosphorus Heterocycles
- Author
- A Dransfeld
- A Elvers
- A Fuchs
- A Göller
- A Göller
- A Igau
- A Modelli
- A Moores
- A Moores
- A Moores
- A Padkine
- A Rehaman
- A Saieswari
- A Sanchez-Gonzalez
- A Schnepf
- A Sekiguchi
- A Sekiguchi
- A Skancke
- AB Chaplin
- AD Becke
- AE Kuznetsov
- AH Cowley
- AJ Arduengo
- AJ Ashe
- AR Katritzky
- AS Ionkin
- AT Balaban
- B Deschamps
- B Kaufmann
- BA Hess Jr
- BY Yates
- C Boeme
- C Callaghan
- C Corminboeuf
- C Elschenbroich
- C Hay
- C Hay
- C Heinemann
- C Moser
- C Roques
- CW Bird
- CW Bird
- D Borissou
- D Bourissou
- D Bourissou
- D Bourissou
- D Delaere
- D Delare
- D Delare
- D Enders
- D Gudat
- D Gudat
- D Gudat
- D Gudat
- D Gudat
- D Gudat
- D Gudat
- D Gudat
- D Martin
- D Moran
- D Vijay
- DA Dixon
- DA Wann
- DB Chesnut
- DB Chesnut
- DB Chesnut
- DS Shobe
- E Despagnet
- E Despagnet-Ayoub
- E Magnusson
- E Mattmann
- E Mattmann
- E Niecke
- E Niecke
- E Niecke
- E Urnezius
- E Vedejs
- ED Jemmnis
- EJP Malar
- EPF Lee
- F Castan
- F DeProft
- F Fuster
- F Garcia
- F Geoffrey
- F Kraus
- F Kraus
- F Kraus
- F Mathey
- F Mathey
- F Mathey
- F Mathey
- F Mathey
- FE Hahn
- FG Cloke
- FGN Cloke
- FGN Cloke
- FW Heinemann
- G Bertrand
- G Frison
- G Jochem
- G Keglevich
- G Keglevich
- G Merino
- G Märkl
- GC Pimentel
- H Fallah-Baghier-Shadaei
- H Jacobsen
- H Jiao
- H Sugiyama
- HJ Bernstein
- HJ Dauben Jr
- HJ Dauben Jr
- HJ Zhai
- I Alkorta
- I Fernandez
- J Berkowitz
- J Casado
- J Grundy
- J Jusélius
- J Jusélius
- J Kapp
- J Krysiak
- J Renner
- J Simon
- J Steinbach
- JA Blush
- JA Pople
- JD Masuda
- JJ Engelberts
- JM Lynam
- JM Molina
- JM Slattery
- JO Jensen
- K Exner
- K Jug
- K Jug
- K Kimura
- KK Baldridge
- KK Laali
- L Nyulászi
- L Nyulászi
- L Nyulászi
- L Nyulászi
- L Nyulászi
- L Nyulászi
- L Nyulászi
- L Nyulászi
- L Nyulászi
- L Nyulászi
- L Nyulászi
- L Nyulászi
- L Nyulászi
- L Nyulászi
- L Nyulászi
- L Nyulászi
- L Nyulászi
- L Wang
- L Zhang
- LAB Moraes
- LD Quin
- LH Meyer
- M Balci
- M Breza
- M Ehle
- M Hofmann
- M Regitz
- M Regitz
- M Sanchez
- M Sebastian
- M Sebstian
- M Soleilhavoup
- M-J Cheng
- MB Abrams
- MD Francis
- MD Francis
- MD Francis
- MJS Dewar
- MK Cyranski
- MK Cyranski
- MK Cyransky
- MM Al-Ktaifani
- MN Glukhotsev
- MN Glukhotsev
- MP Johansson
- MT Nguyen
- MW Schmidt
- MZ Kassaee
- N Burford
- N Burford
- N Burford
- N-N Pham-Tran
- NHT Huy
- NHT Huy
- NJ Hardman
- O Schmidt
- OI Kolodiazhnyi
- P Bultink
- P Floch Le
- P Floch Le
- P Schwerdtfeger
- PE Malar
- PEJ Malar
- PL Arnold
- PL Arnold
- PvR Reed AESchleyer
- PvR Schleyer
- PvR Schleyer
- PvR Schleyer
- PvR Schleyer
- PvR Schleyer
- PvR Schleyer
- PvR Schleyer
- PvR Schleyer
- PW Fowler
- Q Jin
- Q Jin
- R Salcedo
- R Sauers
- R Streubel
- RHV Dias
- RJ Hach
- RK Bansal
- RK Bansal
- RWF Bader
- S Ekici
- S Ito
- S Ito
- S Lacombe
- S Pelloni
- S Pelzer
- S Sakai
- S Sase
- SB Clendening
- SE Arbeloff-Wilson
- SM Bachrach
- SM Bachrach
- SM Bachrach
- T Baumgartner
- T Baumgartner
- T Baumgartner
- T Baumgartner
- T Heine
- T Höltzl
- T Höltzl
- T Kato
- T Kawashima
- T Koopmans
- TC Dinadayalane
- V Luana
- VI Minkin
- W Egan
- W Eisfeld
- W Kirmse
- W Schäfer
- W-Q Li
- W-Q Li
- WA Herrmann
- WA Johnson
- WJ Hehre
- WP Ozimiński
- WR Rocha
- WW Schoeller
- WW Schoeller
- WW Schoeller
- X Liu
- Y Canac
- Y Naruse
- Y Zhang
- Y-L Liu
- Z Benkő
- Z Chen
- Z Li
- Z Mucsi
- Z Yoshida
- Z-H Li
- ZX Wang
- ZZ Liu
- Á Fekete
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- 01/01/2009
- Field of study
No full text
