8 research outputs found
Suppressing of slow magnetic relaxation in tetracoordinate Co(II) field-induced single-molecule magnet in hybrid material with ferromagnetic barium ferrite
- Author
- A Eichhöfer
- A Lodi Rizzini
- A Lodi Rizzini
- A Mirceva
- AD Becke
- C Angeli
- C Angeli
- C Angeli
- C Angeli
- C Angeli
- C Rajnák
- C van Wullen
- CF Macrae
- CT Lee
- D Ganyushin
- D Klar
- DA Pantazis
- DE Freedman
- E Colacio
- E Ruiz
- E Ruiz
- E van Lenthe
- F Habib
- F Neese
- F Neese
- F Neese
- G Zoppellaro
- GM Sheldrick
- J Titiš
- JM Zadrozny
- JM Zadrozny
- LJ Farrugia
- M Laing
- M Mannini
- M Mannini
- M Perfetti
- N Ishikawa
- PA Malmqvist
- PJ Stephens
- R Boča
- R Herchel
- R Herchel
- R Maurice
- RL Carlin
- SH Vosko
- T Jurca
- W Wang
- Y Noda
- Y-H Chi
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
VOC Gas Sensing Via Microelectronics-Based Absorption Spectroscopy at 220–330 GHz
- Author
- A Omar
- AA Kosterev
- AM Fosnight
- BC McDonald
- C Wang
- CF Neese
- D Wang
- DR Johnson
- DT Petkie
- F Hindle
- FC De Lucia
- FJ Lovas
- HH Mantsch
- HM Pickett
- I Kleiner
- IA Smirnov
- IE Gordon
- Ingrid Wilke
- JM Vacherand
- K Schmalz
- K Schmalz
- K Schmalz
- K Wu
- L Chen
- L-H Xu
- M Exter
- M Winnewisser
- M. Arshad Zahangir Chowdhury
- Matthew A. Oehlschlaeger
- Mona M. Hella
- Muhammad Waleed Mansha
- OI Baskakov
- P Kilcullen
- P Werle
- PF-X Neumaier
- R Bocquet
- R Han
- R Han
- RM Lees
- RM Smith
- S Albert
- S Brünken
- S Svanberg
- Tim E. Rice
- TPJ Blaikie
- Y-D Hsieh
- Z Kisiel
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
What is the nature of bonding in [Fe(CO)3(NO)]− and [Fe(CO)4]2−?
- Author
- A Dreuw
- AD Becke
- B Kaduk
- B Plietker
- C Daul
- CD Sherrill
- CF Guerra
- CJ Cramer
- CK Jørgensen
- E van Lenthe
- Eike Caldeweyher
- EJ Baerends
- F Neese
- F Weisser
- FL Hirshfeld
- FM Bickelhaupt
- G Monsch
- G te Velde
- H Chermette
- IC Gerber
- J Klein
- J Sun
- J Tao
- JE Ellis
- JE Ellis
- JEMN Klein
- JEMN Klein
- JH Enemark
- JP Collman
- JP Perdew
- JP Perdew
- L Burkhardt
- L Noodleman
- L Noodleman
- LM Clarkson
- LT Scharf
- M Allan
- M Parthey
- M Reiher
- M Reiher
- M Renz
- M Seth
- M Swart
- M Vujović
- M Zlatar
- M Zlatar
- MP Mitoraj
- OA Vydrov
- P Boulet
- P Boulet
- P Vermeeren
- PJ Stephens
- RF Nalewajski
- RG Teller
- S Ye
- SK Singh
- T Bally
- T Yanai
- T Ziegler
- T Ziegler
- VN Staroverov
- W Kaim
- WTK Chan
- X Wu
- Y Akinaga
- Y Zhang
- Y Zhao
- Y Zhao
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Resonance Raman spectroscopic study of the interaction between Co(II)rrinoids and the ATP:corrinoid adenosyltransferase PduO from Lactobacillus reuteri
- Author
- A Berces
- A Schafer
- AM Heyns
- AR Jones
- B Krautler
- BI Dunlap
- C Van Alsenoy
- CF Guerra
- CLV Johnson
- D Lexa
- DL Bergman
- DP Dowling
- E Baerends
- E Mayer
- E Mayer
- ENG Marsh
- ENG Marsh
- F Neese
- F Santos
- GA Sykes
- GJ Gerfen
- GT Velde
- H Jacobsen
- IG Pallares
- IG Pallares
- IM Chou
- JL Whitten
- JM Puckett
- Jorge C. Escalante-Semerena
- JP Bouquiere
- JP Perdew
- K Eichkorn
- K Eichkorn
- K Park
- K Park
- K Park
- K Park
- Kiyoung Park
- KM Larsson
- KS Conrad
- L Laaksonen
- M Crona
- M St. Maurice
- M Yoon
- MD Liptak
- MD Sintchak
- MS Huhta
- MV Fonseca
- N Godbout
- NR Buan
- PA Frey
- Paola E. Mera
- PE Mera
- PE Mera
- PP Shorygin
- PP Shorygin
- R Banerjee
- R Banerjee
- RA Kendall
- S Chowdhury
- S Hirata
- S Salama
- SH Vosko
- SK Wolff
- SL Dong
- SL Dong
- T Andruniow
- T Toraya
- T Toraya
- T Toraya
- TA Stich
- TA Stich
- TA Stich
- TC Moore
- Thomas C. Brunold
- WD Robertson
- WO George
- XQ Wei
- Y Yabuta
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Single-molecule Magnets on Surfaces
- Author
- A Bencini
- A Candini
- A Caneschi
- A Cornia
- A Cornia
- A Cornia
- A Helmstedt
- A Hofmann
- A Lodi Rizzini
- A Lodi Rizzini
- A Naitabdi
- A Saywell
- A Saywell
- A Ulman
- AA Khajetoorians
- AA Khajetoorians
- AL Barra
- AS Zyazin
- B Donnio
- B Fleury
- BT Thole
- C Carbonera
- C Chappert
- C Danieli
- C Schlegel
- C Vericat
- CF Hirjibehedin
- CJ Milios
- CJ Wedge
- CR Ganivet
- D Gatteschi
- D Gatteschi
- D Klar
- D Serrate
- DN Woodruff
- E Bellido
- E Burzurí
- E Lucaccini
- E Tancini
- E Tancini
- EA Osorio
- EA Osorio
- F Habib
- F Haque
- F Meier
- F Moro
- F Moro
- F Moro
- F Neese
- F Pineider
- F Rostamzadeh Renani
- F Troiani
- G Aromí
- G Aromí
- G Lorusso
- G Otero
- GA Timco
- GH Kim
- H Wende
- H Wende
- HB Heersche
- I Létard
- J Dreiser
- J Martínez-Lillo
- J Schwöbel
- J Souto
- J Stöhr
- J Vallejo
- JC Love
- JD Rinehart
- JD Rinehart
- JD Rinehart
- JE Grose
- JJ Baldoví
- JK Gimzewski
- JM Zadrozny
- JR Friedman
- K Handrup
- K Hong
- K Katoh
- K Katoh
- K Kuepper
- K Petukhov
- K Sun
- L Bogani
- L Bogani
- L Gregoli
- L Malavolti
- L Malavolti
- L Margheriti
- L Margheriti
- L Meng
- L Rigamonti
- L Sorace
- L Thomas
- L Vergnani
- L Vitali
- M Burgert
- M Cavallini
- M Clemente-León
- M Dey
- M Fonin
- M Ganzhorn
- M Ganzhorn
- M Gonidec
- M Lopes
- M Mannini
- M Mannini
- M Mannini
- M Mannini
- M Mannini
- M Misiorny
- M Misiorny
- M Misiorny
- M Perfetti
- M Soler
- M Urdampilleta
- MA Arrio
- MH Jo
- N Domingo
- N Domingo
- N Grumbach
- N Ishikawa
- N Ishikawa
- N Ishikawa
- NE Chakov
- NF Chilton
- O Waldmann
- P Artus
- P Gambardella
- P Ghigna
- P Totaro
- P Zhang
- R Bagai
- R Biagi
- R Inglis
- R Sessoli
- R Sessoli
- R Singh
- R Vincent
- RJ Blagg
- RJ Holmberg
- RQ Wang
- RW Saalfrank
- S Accorsi
- S Gomez-Coca
- S Kahle
- S Kyatskaya
- S Loth
- S Loth
- S Loth
- S Sanvito
- S Stepanow
- S Voss
- S Voss
- S Voss
- S Voss
- S Voss
- S Wagner
- SD Jiang
- SD Jiang
- SMJ Aubin
- T Takami
- TK Prasad
- U Glebe
- U Pennino del
- V Corradini
- V Corradini
- V Corradini
- V Mougel
- X Ling
- X Qiu
- X Wang
- X Yi
- YS Fu
- YY Zhu
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- 01/01/2015
- Field of study
Encoding and manipulating information through the spin degrees of freedom of individual magnetic molecules or atoms is one of the central challenges in the continuing trend towards molecular/atomic scale electronics. With their large magnetic moment and long spin relaxation time, single-molecule magnets (SMMs) are of special importance in this emerging field. Their electrical addressing at the molecular level appears now well within reach using STM methods, which require to organize SMMs on a conducting surface. In this chapter, we present a critical overview of the latest achievements in the deposition of SMMs as monolayers or submonolayers on native or prefunctionalized surfaces. Special emphasis is placed on the selection and design of molecular structures that withstand solution or vapour-phase processing and that maintain their magnetic functionality on a surface. Chemical strategies to control the strength of molecule\u2013substrate interaction and the molecular orientation on the surface are also illustrated. Rewardingly, these efforts have shown that the distinctive properties of SMMs, i.e. slow spin relaxation and quantum tunnelling of the magnetic moment, persist in metal-wired molecules
First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids
- Author
- A Ambrosetti
- A Karton
- A Karton
- A Liwo
- A Tkatchenko
- A Tkatchenko
- AG Császár
- AG Császár
- AG Császár
- AK Rai
- AL Heaton
- B Boeckx
- B Boeckx
- C Adamo
- C Baldauf
- C Baldauf
- C Espinoza
- C Møller
- C van Wullen
- C-H Hu
- CF Matta
- D Shemesh
- D Sindhikara
- DE Woon
- DG Truhlar
- DJ Earl
- DJ Wales
- DJ Wales
- DM Close
- DT Nguyen
- E Czinki
- EC Beret
- F Neese.
- F Schubert
- F Schubert
- FM Floris
- G Bouchoux
- G Bussi
- G von Helden
- GJ Fleming
- HB Jansen
- HM Jaeger
- HQ Ai
- IY Zhang
- JA Hartigan
- JA Tainer
- JH van Lenthe
- JM Bakker
- JP Perdew
- JW Ponder
- KY Baek
- KY Baek
- L Meng
- M Cao
- M Chen
- M Chen
- M Feig
- M Head-Gordon
- M Kabelac
- M Kirberger
- M Ramek
- M Rassolian
- M Rossi
- M Rossi
- M Rossi
- M Zhang
- M Zhou
- M. Ropo
- MA Sahai
- MA Zamora
- MD Beachy
- MK Kesharwani
- ML Ceci
- N O'Boyle
- N Vyas
- P Gabor
- P Hohenberg
- P Ren
- P Selvarengan
- PB Armentrout
- R Cheng
- R Kaschner
- R Linder
- R Maul
- R Shankar
- RH Holm
- RH Swendsen
- RJ Lavrich
- S Blanco
- S Chutia
- S Dokmaisrijan
- S Kishor
- S Sadiq
- S Schlund
- S Xu
- SF Boys
- SK Sharma
- T Szidarovszky
- V Barone
- V Blum
- V Havu
- V Riffet
- V Riffet
- W Humphrey
- W Kohn
- W Yu
- WL Jorgensen
- X Ren
- Y Sugita
- Y Yuan
- Y-P Ho
- YK Kang.
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
EPR Spectroscopy and the Electronic Structure of the Oxygen-Evolving Complex of Photosystem II
- Author
- A Bencini
- A Boussac
- A Boussac
- A Boussac
- A Boussac
- A Boussac
- A Boussac
- A Boussac
- A Boussac
- A Boussac
- A Boussac
- A Boussac
- A Boussac
- A Boussac
- A Cua
- A Galstyan
- A Grundmeier
- A Guskov
- A Haddy
- A Haddy
- A Kawamori
- A Magnuson
- A Schweiger
- A Zouni
- AW Rutherford
- B Kok
- B Loll
- BE Sturgeon
- C Baffert
- C Teutloff
- C Teutloff
- CF Yocum
- CP Aznar
- D Koulougliotis
- D Koulougliotis
- D Pantazis
- DA Force
- DA Pantazis
- DA Pantazis
- DF Ghanotakis
- DP Goldberg
- DW Randall
- DW Randall
- F Neese
- G Hendry
- GA Lorigan
- GC Dismukes
- GC Dismukes
- GJ Yeagle
- GM Cheniae
- GW Brudvig
- H Levanon
- H Wincencjusz
- H Wincencjusz
- HJ Gorkom van
- I McConnell
- I Rivalta
- J Barber
- J Limburg
- J Messinger
- J Messinger
- J Messinger
- J Yano
- J Yano
- JA Stull
- JH Su
- JH Su
- JHA Nugent
- JHA Nugent
- JL Zimmermann
- JM Peloquin
- JM Peloquin
- JP McEvoy
- JS Vrettos
- JS Vrettos
- JT Sage
- K Burda
- K Burda
- K Hasegawa
- K Hasegawa
- K Hasegawa
- K Olesen
- K Sauer
- KA Campbell
- KA Campbell
- KA Åhrling
- KA Åhrling
- KA Åhrling
- KGV Havelius
- KN Ferreira
- KO Schafer
- KO Schäfer
- L Kulik
- L Noodleman
- L Noodleman
- L Noodleman
- L Rapatskiy
- LV Kulik
- LV Kulik
- LV Kulik
- M Baumgarten
- M Grabolle
- M Haumann
- M Kusunoki
- M Orio
- M Sivaraja
- M Zheng
- M Zheng
- M-F Charlot
- MCW Evans
- N Cox
- N Cox
- N Cox
- N Kamiya
- N Lydakis-Simantiris
- Nicholas Cox
- O Horner
- OM Usov
- P Geijer
- P Joliot
- PEM Siegbahn
- PEM Siegbahn
- PEM Siegbahn
- PH Homann
- PJ Riggs-Gelasco
- R Fiege
- R Orbach
- R Pokhrel
- R Radmer
- RD Britt
- RD Britt
- RD Britt
- RD Britt
- RJ Debus
- RJ Pace
- S Izawa
- S Luber
- S Milikisiyants
- S Mukherjee
- S Petrie
- S Schinzel
- S Sinnecker
- S Styring
- S Styring
- SL Dexhemier
- Sushil K. Misra
- T Lohmiller
- T Matsukawa
- T Noguchi
- T Noguchi
- T Noguchi
- T Wydrzynski
- T Yamauchi
- T-a Ono
- TA Roelofs
- TA Stich
- TA Stich
- Thomas Lohmiller
- U Bergmann
- V Petrouleas
- VK Yachandra
- VL Pecoraro
- W Ames
- W Junge
- W Lubitz
- W Zweygart
- WF Beck
- WF Beck
- William Ames
- Wolfgang Lubitz
- Y Kimura
- Y Pushkar
- Y Umena
- YL Pushkar
- Z Deák
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
QM/MM Investigations Of Organic Chemistry Oriented Questions
- Author
- A Aggarwal
- A Amadei
- A Avoird van der
- A Avoird van der
- A Avoird van der
- A Banerjee
- A Brunger
- A Burquel
- A Cavalli
- A Delabie
- A Dreuw
- A Dreuw
- A Eilmes
- A Elliot
- A Goodrow
- A Goodrow
- A Goodrow
- A Grossfield
- A Hesselmann
- A Heyden
- A Heyden
- A Imberty
- A Klamt
- A Laio
- A Matteo di
- A Munozpaez
- A Munozpaez
- A Neumaier
- A Okur
- A Olaya-Castro
- A Paasche
- A Pedone
- A Pedone
- A Schafer
- A Sharir-Ivry
- A Shurki
- A Shurki
- A Smellie
- A Suenaga
- A Szabo
- A Tongraar
- A Tongraar
- A Tongraar
- A Tongraar
- A Tongraar
- A Tongraar
- A Tongraar
- A Tongraar
- A Toniolo
- A Toniolo
- A Wallqvist
- A Warshel
- A Warshel
- A Warshel
- A Warshel
- A Warshel
- A Warshel
- A Warshel
- A Warshel
- A Zheludev
- AA Sokol
- AB Pribil
- AB Pribil
- AC Grimsdale
- AD Dutoi
- AD MacKerell
- AD MacKerell
- AD MacKerell
- ADJ MacKerell
- AE Cho
- AG Maldonado
- AJ Misquitta
- AJ Mulholland
- AJ Mulholland
- AK Rappe
- AM Mohammed
- AM Tokmachev
- AM Virshup
- AN Alexandrova
- AN Sheppard
- APE Kunz
- APE Kunz
- AR Leach
- AR Leach
- AT Hagler
- AV Arbuznikov
- AV Arbuznikov
- AV Arbuznikov
- AV Arbuznikov
- B Beck
- B Corry
- B Engels
- B Engels
- B Engels
- B Engels
- B Engels
- B Engels
- B Engels
- B Engels
- B Engels
- B Engels
- B Jeziorski
- B Peters
- B Wang
- B Wang
- BA Gregg
- BG Levine
- BK Radak
- BM Rode
- BM Rode
- BM Sattelle
- BS Mallik
- BY Ma
- C Adamo
- C Bernini
- C Chipot
- C Curutchet
- C Hartwigsen
- C Houriez
- C Houriez
- C Lennartz
- C Nonnenberg
- C Ochsenfeld
- C Oostenbrink
- C Peter
- C Schiffmann
- C Shang
- C Wüllen van
- CA Floudas
- CB Nielsen
- CD Sherrill
- CF Schwenk
- CG Zhan
- CJ Casewit
- CJ Cerjan
- CJ Cramer
- CJ Men
- CJ Pickard
- CJR Illingworth
- CJR Illingworth
- CL Brooks
- CL Stanton
- CM Aguilar
- CM Chu
- CR Corbeil
- CRA Catlow
- CRA Catlow
- CX Liang
- D Bakowies
- D Balcells
- D Balcells
- D Beglov
- D Beljonne
- D Beljonne
- D Belle van
- D Bucher
- D Feller
- D Goldfarb
- D Karaboga
- D Karaboga
- D Karaboga
- D Riccardi
- D Riccardi
- D Roca-Sanjuan
- D Satoh
- D Sheppard
- D Spoel van der
- D Xenides
- DA Adriaens
- DA Scherlis
- DA Singleton
- DA Svistunenko
- DE Bikiel
- DG Leopold
- DJ Tozer
- DJ Wales
- DJ Wales
- DM Chipman
- DM Koch
- DM York
- DP Geerke
- DP Geerke
- DP Geerke
- DR Yarkony
- E Cances
- E Harder
- E Hennebicq
- E Hinteregger
- E Lenthe van
- E Lindahl
- E Sanchez-Garcia
- EC Beret
- EG Hohenstein
- EJ Heller
- ER Johnson
- F Bernardi
- F Bernardi
- F Bessac
- F Claeyssens
- F Eckert
- F Endres
- F Feng
- F Himo
- F Jensen
- F Maseras
- F Masson
- F Neese
- F Neese
- F Sicilia
- FH Stillinger
- FH Stillinger
- FJ Vesely
- FS Lee
- G Bohm
- G Brancato
- G Brancato
- G Brancato
- G Brancato
- G Chang
- G Drudis-Sole
- G Estiu
- G Henkelman
- G Henkelman
- G Henkelman
- G Henkelman
- G Horowitz
- G Jancso
- G Jansen
- G Jansen
- G Jansen
- G Klebe
- G Monard
- G Monard
- G Náray-Szabó
- G Schreckenbach
- G Vayner
- GA DiLabio
- GA DiLabio
- GA Kaminski
- GA Kaminski
- GA Kaminski
- GB Rocha
- GD Scholes
- GD Seabra
- GH Lushington
- GH Lushington
- GH Lushington
- GM Arantes
- GM Torrie
- GM Torrie
- GP Gippert
- H Benedict
- H Bolvin
- H Grubmuller
- H Gunaydin
- H Helten
- H Helten
- H Hu
- H Hu
- H Hu
- H Hu
- H Hu
- H Hu
- H Langer
- H Lin
- H Lin
- H Ohtaki
- H-B Xie
- HA Scheraga
- HB Yu
- HF Schaefer
- HJ Kulik
- HJ Werner
- HJ Werner
- HL Woodcock
- HM Netzloff
- HM Senn
- HM Senn
- HM Senn
- HM Senn
- HM Senn
- HM Zhao
- HP Hersleth
- HS Frank
- HU Suter
- HU Suter
- HU Suter
- HW Spiess
- I Adamovic
- I Adamovic
- I Ciofini
- I Daidone
- I Hwang
- I Shavitt
- IG Tironi
- IH Hillier
- IJ Chen
- IJ Chen
- IJ Chen
- IV Vorobyov
- J Andzelm
- J Aqvist
- J Autschbach
- J Baker
- J Chandrasekhar
- J Chandrasekhar
- J Cirujeda
- J Cornil
- J Fanfrlik
- J Gao
- J Gao
- J Gao
- J Gao
- J Gauss
- J Gauss
- J Gauss
- J Gauss
- J Guthmuller
- J Hudecova
- J Jeon
- J Jung
- J Kostrowicki
- J Kussmann
- J Kästner
- J Kästner
- J Kästner
- J Moult
- J Neugebauer
- J Neugebauer
- J Neugebauer
- J Neugebauer
- J Sadowski
- J Sauer
- J Simons
- J Sponer
- J Sponer
- J To
- J Tomasi
- J Tomasi
- J Vaara
- J Wang
- JAD MacKerell
- JBO Mitchell
- JC Phillips
- JC Poully
- JC Schoneboom
- JD Bernal
- JD Thompson
- JE Harriman
- JF Harrison
- JG Kirkwood
- JG Warren
- JH Chen
- JH Jensen
- JH Lii
- JH Lii
- JI Garcia
- JJP Stewart
- JJP Stewart
- JJP Stewart
- JJP Stewart
- JL Banks
- JL Bredas
- JL Bredas
- JL Gao
- JL Gao
- JL Gao
- JL Gao
- JLR Arrondo
- JM Goodman
- JM Hermida-Ramon
- JM Lu
- JM Olsen
- JM Olsen
- JP McNamara
- JP Piquemal
- JP Valleau
- JR Maple
- JR Maple
- JR Pliego
- JS Rowlinson
- JW Ponder
- JZ Pu
- K Fujimoto
- K Funken
- K Gundertofte
- K Hori
- K Morokuma
- K Nam
- K Nilsson
- K Nilsson
- K Raha
- K Vanommeslaeghe
- K Vengadesan
- KA Kistler
- KA Kistler
- KE Ranaghan
- KJ Jalkanen
- KM Neyman
- KMJ Merz
- KN Kirschner
- KR Geethalakshmi
- KS Watts
- KW Sattelmeyer
- KW Sattelmeyer
- L Blancafort
- L Blancafort
- L Gisslen
- L Hemmingsen
- L Petersen
- L Poulsen
- L Ridder
- L Ridder
- L Rulisek
- LA Nafie
- LB Knight
- LB Morales
- LC Menikarachchi
- LD Barron
- LD Barron
- LD Barron
- LG Pedersen
- LH Hu
- LL Thomas
- LV Slipchenko
- M Alfonso-Prieto
- M Beer
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