8 research outputs found
Density Functional Theory Study of the Zeolite-Catalyzed Methylation of Benzene with Methanol
- Author
- A Galadima
- A Ghorbanpour
- A Heyden
- AM Vos
- BS Kulkarni
- DR Lide
- G Kresse
- G Kresse
- H Fujita
- H Hu
- H Hu
- H Hu
- Huayu Zhu
- J Lyu
- J Lyu
- J Van Der Mynsbrugge
- J Van Der Mynsbrugge
- JH Ahn
- JP Perdew
- K De Wispelaere
- K Gao
- L Li
- LA Clark
- MF Zalazar
- N Hansen
- Q Wang
- RY Brogaard
- RY Brogaard
- S Grimme
- S Muller
- S Svelle
- S Svelle
- T Maihom
- T Odedairo
- Visur M Saepurahman
- X Nie
- X Sun
- X Sun
- Xuedong Zhu
- Z Wen
- Z Wen
- Z Wen
- Z Wen
- Zhenhao Wen
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textCatalytic performance of the modified H-ZSM-5 zeolite in methanol transformation to hydrocarbons
- Author
- BM Harney
- C Mei
- C Wang
- CD Chang
- CD Chang
- CD Chang
- D Chen
- E Dinjus
- E Lee
- E Sernagiotto
- EF Sousa-Aguiar
- F Meng
- FL Bleken
- H Schulz
- H-K Min
- HA Zaidi
- J Ahmadpour
- J Chen
- J Diebold
- JA Bel Le
- JW Beeckman
- JW Beeckman
- KK Ramasamy
- KV Topchiev
- L Huang
- L Palumbo
- L Qi
- M Bjørgen
- M Fattahi
- M Li
- NY Chen
- P Pérez-Uriarte
- P Wang
- PL Benito
- RA Dagle
- RY Brogaard
- S Sadeghi
- S-C Baek
- W Wan
- X Wang
- Y He
- Z Wan
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textUnveiling how intramolecular stacking modes of covalently linked dimers dictate photoswitching properties
- Author
- AA Zavitsas
- AJ Boydston
- AM Butterfield
- B Duda
- B Fuchs
- BL Feringa
- C Jia
- C Jurissek
- C Petermayer
- C Rüchardt
- CJ Brown
- D Canevet
- D Pijper
- D Samanta
- D Sud
- D Zhao
- DJ Cram
- ER Johnson
- ER Kay
- FH Allen
- H Hayasaka
- HK Bisoyi
- HL Stern
- J Broichhagen
- J Zhang
- J Zhang
- K Iwaso
- K Moth-Poulsen
- KN Houk
- L Qin
- L Wang
- M Yoshizawa
- M-M Russew
- MB Smith
- PG Ghasemabadi
- R Frisenda
- R-J Li
- RY Brogaard
- S Erbas-Cakmak
- S Hatano
- S-L Huang
- T Hayashi
- T Nakagawa
- T Suzuki
- T Yamaguchi
- TH Koch
- W Szymański
- WA Velema
- WR B.
- Y Ishigaki
- Y Yokoyama
- Z Liu
- Z-g Zheng
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textMolecular elucidating of an unusual growth mechanism for polycyclic aromatic hydrocarbons in confined space
- Author
- A Devaraj
- A Feller
- B Tian
- BD Adamson
- C Wang
- D Chen
- D Mores
- D Rojo-Gama
- D Rojo-Gama
- D Xiao
- E Borodina
- E Epelde
- G Liu
- G Ye
- H An
- H Jin
- H Schulz
- I Yarulina
- J Chen
- J Goetze
- J VandeVondele
- J VandeVondele
- J Zhou
- JE Schmidt
- JH Shinn
- JP Perdew
- JR Anderson
- JW McClaine
- JW McClaine
- K Kim
- KO Johansson
- L Nyadong
- L Pinard
- L Qi
- M Guisnet
- M Luo
- M Signorile
- MS Solum
- N Chaouati
- N Yan
- P Andy
- P Bollini
- P Magnoux
- P Tian
- PM Allotta
- Q Qian
- RB Rostami
- RY Brogaard
- S Gao
- S Goedecker
- S Grimme
- S Müller
- SV Konnov
- UV Mentzel
- W Dai
- W David
- Y Li
- Y Wei
- YG Wang
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textWhat is the Point of (the Hundreds of Thousands of Billions of) Stock Transactions?
- Author
- Alexandre Garel
- Amar Bhide
- Andong Zhu
- Andrei Kirilenko
- B Barber
- B Barber
- Bengt Holmstrom
- BM Barber
- Brian J Bushee
- C Doidge
- CC Lee
- Chung-Hua Shen
- Cristina Cella
- D Barton
- D Easley
- D Easley
- David Roodman
- Donny Tang
- E Budish
- F Derrien
- Felix Rioja
- G Capelle-Blancard
- G Capelle-Blancard
- G Capelle-Blancard
- Gunther Capelle-Blancard
- Gülsün Yay
- H Brogaard
- I Chakraborty
- J Asker
- J Dow
- J Tobin
- J-L Arcand
- J-S Yu
- James J Angel
- JC Coffee
- Jennifer Itzkowitz
- Jenny A Minier
- John H Cochrane
- JR Macey
- K Saci
- Kenneth A Froot
- Kenneth French
- L Zingales
- Luigi Guiso
- M Cremers
- MC Jensen
- Michael Brennan
- Michael Brennan
- P Arestis
- P Bolton
- P Rousseau
- P Rousseau
- P Valickova
- P Wachtel
- Paul Milgrom
- Ph Aghion
- Ph Aghion
- R Atje
- R Harris
- R Levine
- R Næs
- RY Goyenkoa
- Ryan Compton
- S Christoffersen
- Sami Ben Naceur
- SH Law
- T Beck
- T Chordia
- T Odean
- Tarun Chordia
- TC Johnson
- Th Foucault
- Th Foucault
- Thomas Philippon
- Thorsten Beck
- Vivian W Fang
- W Liu
- Yakov Amihud
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textTheory-guided design of catalytic materials using scaling relationships and reactivity descriptors
- Author
- A Bruix
- A Grimaud
- A Grimaud
- A Khorshidi
- A Khorshidi
- A Logadottir
- A Michaelides
- A Nilsson
- A Visikovskiy
- A Vojvodic
- A Vojvodic
- A Wang
- AA Latimer
- AB Getsoian
- AB Laursen
- AJ Medford
- AJ Medford
- AJ Therrien
- AM Deml
- B Hammer
- B Hammer
- B Hammer
- B Han
- B Huang
- B Kolb
- B Qiao
- B Yang
- C Jia
- C Klanner
- C Stegelmann
- C Tsai
- C Wei
- CA Wolcott
- CF Dickens
- CM Wang
- CY Lin
- D Liu
- D Loffreda
- D Strmcnik
- D Wu
- EM Fernandez
- ER Cave
- F Abild-Pedersen
- F Brockherde
- F Calle-Vallejo
- F Calle-Vallejo
- F Calle-Vallejo
- F Calle-Vallejo
- F Calle-Vallejo
- F Göltl
- F Studt
- F Studt
- F Viñes
- FHB Lima
- FR Lucci
- G Ertl
- G Sun
- H Jeong
- H Li
- H Thirumalai
- H Wang
- H Wei
- H Xin
- H Xu
- H Zhuang
- HB Tao
- IC Man
- J Behler
- J Behler
- J Behler
- J Carberry
- J Greeley
- J Greeley
- J Greeley
- J Greeley
- J Greeley
- J Gustafson
- J Hwang
- J Liu
- J Suntivich
- J Suntivich
- J Wang
- J Zhang
- JK Nørskov
- JK Nørskov
- JK Nørskov
- JK Nørskov
- JK Nørskov
- JK Nørskov
- JLC Fajín
- JR Kitchin
- JR Kitchin
- JR Kitchin
- K Jiang
- K Tran
- K Yao
- L Lin
- L Nie
- L Zhang
- M Fečík
- M Fields
- M Haruta
- M Mavrikakis
- M-J Cheng
- MD Marcinkowski
- MJ Hülsey
- ML Pegis
- MM Montemore
- MT Darby
- MT Greiner
- MW Haverkort
- N Artrith
- N Mizuno
- NI Kim
- P Mehta
- P Sabatier
- P Schlexer Lamoureux
- P Wang
- PS Kirlin
- R Chattot
- R Jinnouchi
- R Jinnouchi
- R Ramprasad
- RB Wexler
- RY Brogaard
- S Back
- S Curtarolo
- S Jung
- S Kattel
- S Liu
- S Marti
- S Sinthika
- S Wang
- S Wang
- S Ye
- S Zhang
- SO Choi
- T Bligaard
- TS Choksi
- V Fung
- V Stamenkovic
- W Cai
- W Wang
- W Zhu
- WT Hong
- X Han
- X Liu
- X Liu
- X Ma
- Y Zhao
- Y Zheng
- Y Zhou
- Y-J Zhang
- Y-L Lee
- YH Li
- YY Wang
- Z Li
- Z Zhang
- Z Zhao
- Z Zhao
- ZJ Zhao
- ZW Ulissi
- Publication venue
- 'Springer Science and Business Media LLC'
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- Field of study
No full textDensity Functional Theory Beyond the Generalized Gradient Approximation for Surface Chemistry
- Author
- A Aguero
- A Gil
- A Lopez-Bezanilla
- A Luengnaruemitchai
- A Manthiram
- A Ruzsinszky
- A Sanchez
- A Savin
- A Seidl
- A Stroppa
- A Stroppa
- A Szabo
- AA Gokhale
- AC Papageorgiou
- AD Becke
- AD Becke
- AD Becke
- AD Becke
- AD Becke
- AD Becke
- AD Becke
- AJ Cohen
- AJ Garza
- AV Arbuznikov
- AV Arbuznikov
- AV Krukau
- AV Krukau
- B Civarelli
- B Civarelli
- B Hammer
- B Hammer
- B Njegic
- B Yoon
- BG Janesko
- BG Janesko
- BG Janesko
- BJ Lynch
- BJ Lynch
- C Díaz
- C Filippi
- C Lee
- C Loschen
- C Penschke
- C Uthaisar
- C Valentin Di
- C Zhang
- CF Huo
- CM Lousada
- CM Zicovich-Wilson
- CR Bealing
- CR Hsing
- CV Ovesen
- CW Bauschlicher Jr
- D Cremer
- D Curulla-Ferre
- DC Patton
- DM Bylander
- DM Ceperley
- DR Alfonso
- DR Bowler
- DS Newsome
- E Grns
- E Livshits
- E Livshits
- E Londero
- ER Batista
- ER Johnson
- F El-Mellouhi
- F Furche
- F Gygi
- F Göltl
- F Karlický
- F Mittendorfer
- F Studt
- F Studt
- F Tran
- FA Hamprecht
- G Ertl
- G Kresse
- G Lanzani
- G Pacchioni
- G Teobaldi
- GC Schatz
- GF Mangiatordi
- GI Csonka
- GJ Kroes
- GKH Madsen
- GT Jong de
- GT Jong de
- GT Jong de
- GT Jong de
- H Iikura
- H Schulz
- H Stoll
- HJ Kim
- HJ Monkhorst
- HMT Galvis
- HR Leverentz
- HR Liu
- I Czekaj
- IC Gerber
- IM Ciobica
- J Behler
- J Cheng
- J Cheng
- J Gomes
- J Greeley
- J Greeley
- J Hafner
- J Hafner
- J Heyd
- J Heyd
- J Heyd
- J Jaramillo
- J Klimes
- J Kneipp
- J Paier
- J Paier
- J Paier
- J Sehested
- J Sun
- J Sun
- J Sun
- J Sun
- J Tao
- J Toulouse
- J Wellendorff
- J Zheng
- JA Hansen
- JA Moussa
- JAPP Ramalho
- JB Krieger
- JC Slater
- JD Chai
- JD Thrower
- JHG Owen
- JK Nørskov
- JK Nørskov
- JP Perdew
- JP Perdew
- JP Perdew
- JP Perdew
- JP Perdew
- JP Perdew
- JP Perdew
- JP Perdew
- JP Perdew
- JP Perdew
- JR Mirwald
- JR Rakow
- JW Song
- K Burke
- K Burke
- K Burke
- K Doll
- K Hayashi
- K Honkala
- K Yang
- KE Riley
- KE Yousaf
- L Deng
- L Ferrighi
- L Ferrighi
- L Goerigk
- L Goerigk
- L Hedin
- L Romaner
- L Schimka
- L Shimka
- L Zecca
- LA Constantin
- LB Vilhelmsen
- LC Grabow
- LC Grabow
- LL Zhao
- LM Almeida
- M Andersen
- M Andersson
- M Boronat
- M Dürr
- M Ernzerhof
- M Gell-Mann
- M Marsman
- M Neurock
- M Ojeda
- M Pozzo
- M Zhu
- MAL Marques
- MC Kim
- ME Dry
- MJ Frisch
- MJ Lucero
- MM Odashima
- MY Han
- MZ Hossain
- N Lopez
- N Marom
- N Schumachera
- NE Schultz
- O Hod
- O Yazev
- OA Vydrov
- ON Chung
- OR Inderwildi
- OR Inderwildi
- P Broqvist
- P Hohenberg
- P Huang
- P Janthon
- P Mori-Sánchez
- P Mori-Sánchez
- P Nachtigall
- PE Hoggan
- PJ Feibelman
- PJ Stephens
- PM Maitlis
- Q Fu
- Q Ge
- Q Wu
- R Armiento
- R Baer
- R Balog
- R Balog
- R Haunschild
- R Miotto
- R Perverati
- R Perverati
- R Perverati
- R Peverati
- R Peverati
- R Sniatynsky
- R Valero
- R Valero
- RA Santen van
- RJ Bartlett
- RT Sharp
- RT Vang
- RY Brogaard
- S Andersson
- S Dahl
- S Grimme
- S Ivanov
- S Luo
- S Moncho
- S Rajasekaran
- S Shetty
- S Svelle
- S Yadnum
- S Zhang
- SE Wheeler
- SH Lee
- SH Vosko
- SM Kozlov
- T Benighaus
- T Bligaard
- T Leininger
- T Olsen
- T Schwabe
- T Stein
- T Stein
- T Voorhis Van
- TM Henderson
- TM Henderson
- TM Henderson
- TM Henderson
- TM Henderson
- TVW Janssens
- U Heiz
- V Barone
- V Barone
- VG Ruiz
- VI Anisimov
- VN Staroverov
- VN Staroverov
- W Kohn
- W Lu
- W Yang
- W Yang
- W Yang
- X Ren
- X Ren
- Y Kanai
- Y Kanai
- Y Pan
- Y Wang
- Y Zhang
- Y Zhang
- Y Zhao
- Y Zhao
- Y Zhao
- Y Zhao
- Y Zhao
- YW Son
- YY Chuang
- Z Chen
- Z Wu
- ZK Smedarchina
- ZP Liu
- Publication venue
- 'Springer Science and Business Media LLC'
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No full textAn overview of nonadiabatic dynamics simulations methods, with focus on the direct approach versus the fitting of potential energy surfaces
- Author
- A Ferretti
- A García-Vela
- A Heyden
- A Toniolo
- A Toniolo
- A Toniolo
- A Toniolo
- A Toniolo
- A Troisi
- AD McLachlan
- AK Belyaev
- AL Kaledin
- AL Thompson
- AM Tokmachev
- AM Virshup
- AR Menzeleev
- AV Akimov
- AV Akimov
- AW Jasper
- AW Jasper
- B Baumeier
- B Kaduk
- B Kaduk
- B Lasorne
- B Lasorne
- B Lasorne
- BFE Curchod
- BFE Curchod
- BFE Curchod
- BFE Curchod
- BG Levine
- BG Levine
- BG Levine
- BG Levine
- BH Lengsfield III
- BK Kendrick
- BM Ladanyi
- BR Landry
- BR Smith
- C Angeli
- C Angeli
- C Ciminelli
- C Ciminelli
- C Ciminelli
- C Collaveri
- C Curutchet
- C Hu
- C Hu
- C Lasser
- C Leforestier
- C Martin
- C Zhu
- C Zhu
- CA Schwerdtfeger
- CR Evenhuis
- CR Evenhuis
- CR Marian
- CSM Allan
- D Geissler
- D Laage
- D Mendive-Tapia
- D Nachtigallová
- D Nachtigallová
- D Polli
- D-H Lu
- DJ Tannor
- DJ Tannor
- DL Bunker
- DR Yarkony
- DS Sholl
- DV Shalashilin
- DV Shalashilin
- E Dunkel
- E Fabiano
- E Fabiano
- E Martínez-Núñez
- E Tapavicza
- E Wigner
- EJ Heller
- EJ Heller
- EJ Heller
- F Bernardi
- F Plasser
- F Santoro
- F Santoro
- F Shimojo
- F Spiegelmann
- FF Carvalho de
- FF Carvalho de
- G Bussi
- G Cui
- G Czakó
- G Floss
- G Granucci
- G Granucci
- G Granucci
- G Granucci
- G Granucci
- G Granucci
- G Granucci
- G Granucci
- G Parlant
- G Stock
- G Stock
- G Tiberio
- G Tomasello
- G Tomasello
- GA Jones
- GA Worth
- GA Worth
- GA Worth
- GA Worth
- GA Worth
- GA Worth
- Giovanni Granucci
- H Köppel
- H Köppel
- H Nieber
- H Nieber
- H Tamura
- H Tao
- H-D Meyer
- H-D Meyer
- HC Longuet-Higgins
- HM Jaeger
- HM Senn
- I Antes
- I Burghardt
- I Frank
- I Tavernelli
- I Tavernelli
- I Tavernelli
- I Tavernelli
- I Tavernelli
- IF Galván
- J Finley
- J Petersen
- J Petersen
- J Petersen
- J Pittner
- J Tomasi
- J Vura-Weis
- J-Y Fang
- JA Gámez
- JB Schönborn
- JB Schönborn
- JC Burant
- JC Tully
- JC Tully
- JC Tully
- JC Tully
- JE Subotnik
- JE Subotnik
- JG López
- JJ Bajo
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- JJ Szymczak
- JJ Szymczak
- JJP Stewart
- JM Hostettler
- JP Bowen
- JP Malhado
- JR Faeder
- JR Schmidt
- JR Schmidt
- JR Stine
- K Giese
- K Giri
- K Husimi
- K Park
- K Saita
- K Saita
- K Thompson
- K Yagi
- KF Hall
- L Creatini
- L Favero
- L Joubert-Doriol
- L Liu
- L Martínez-Fernández
- L Spörkel
- L Sun
- L Wang
- M Araújo
- M Barbatti
- M Barbatti
- M Barbatti
- M Barbatti
- M Barbatti
- M Barbatti
- M Ben-Nun
- M Ben-Nun
- M Ben-Nun
- M Ben-Nun
- M Ben-Nun
- M Boggio-Pasqua
- M Böckmann
- M Böckmann
- M Böckmann
- M Desouter-Lecomte
- M Garavelli
- M Hillery
- M Monteferrante
- M Parrinello
- M Persico
- M Persico
- M Persico
- M Persico
- M Richter
- M Ronto
- M Ruckenbauer
- M Sukharev
- M Wohlgemuth
- M-C Heitz
- MA Collins
- Maurizio Persico
- MD Hack
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- ME Casida
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- MP Allen
- MR Manaa
- MV Berry
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- N Kungwan
- N Makri
- N Shenvi
- NC Blais
- NL Doltsinis
- O Carstensen
- O Godsi
- O Godsi
- O Vendrell
- OV Prezhdo
- P Cattaneo
- P Cattaneo
- P Cattaneo
- P Cattaneo
- P Cattaneo
- P Giannozzi
- P Hurd
- P Leuven Van
- P Marquetand
- P Sauer
- PD Chowdary
- PF Huo
- PRL Markwick
- PV Parandekar
- Q Sun
- R Baer
- R Car
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- R Long
- R Mitrić
- R Mitrić
- R Schinke
- R Send
- RA Marcus
- RD Levine
- RE Wyatt
- RK Preston
- RN Zare
- RY Brogaard
- S Clifford
- S Fernandez-Alberti
- S Grimme
- S Hammes-Schiffer
- S Inglese
- S Kube
- S Kumar
- S Matsika
- S Neville
- S Olsen
- S Patchkovskii
- S Römer
- S Römer
- S Yamamoto
- S Yang
- S Yuan
- S Álvarez-Barcia
- SC Cheng
- SR Billeter
- SR Billeter
- SS Shaik
- T Cusati
- T Cusati
- T Mori
- T Nelson
- T Nelson
- T Pacher
- T Seideman
- T Voorhis Van
- T Vreven
- T Vreven
- T Westermann
- T Yonehara
- T Yonehara
- T Ziegler
- TC Berkelbach
- TD Kühne
- TJ Martínez
- U Müller
- U Müller
- V Cantatore
- V Sivaranjana Reddy
- W Domcke
- W Feng
- W Jakubetz
- W Mou
- WH Miller
- WH Miller
- X Sun
- X Zhu
- X Zhu
- X Zhu
- Y Dou
- Y Guo
- Y Li
- Y Lu
- Y Lu
- Y Suzuki
- YG Khait
- YL Volobuev
- Z Chen
- Z Lan
- ZB Walters
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- 'Springer Science and Business Media LLC'
- Publication date
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No full text
