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7 research outputs found
Insights into the nature of ME bonds in [(PMe3)4ME(Mes)]+ (M = Mo, W) and [(PMe3)5WE(Mes)]+: a dispersion-corrected DFT study
Author
Baerends
Balázs
+76Â more
Becke
Becke
Chang
Cundari
Davidson
Filippou
Filippou
Filippou
Filippou
Filippou
Filippou
Filippou
Filippou
Filippou
Filippou
Filippou
Filippou
Filippou
Filippou
Filippou
Fischer
Frenking
Goerigk
Grimme
Grimme
Grimme
Grimme
Hashimoto
Hayes
Herndon
Hicks
Jacobsen
Johnson
Klimes
Lein
Marom
Mayr
McLain
McMullin
Michalak
Mindiola
Mork
Morokuma
Nalewajski
Pandey
Pandey
Pandey
Pandey
Pandey
Pandey
Perdew
Perdew
Perdew
Power
Pu
Pyykkö
Pyykkö
Pyykkö
Pyykkö
Reed
Risthaus
Ryde
Schrock
Schrock
Siegbahn
Simons
Takagi
te Velde
Thanthiriwatte
van Lenthe
van Lenthe
von Hopffgerten
Zhao
Ziegler
Ziegler
Ziegler
Publication venue
'Royal Society of Chemistry (RSC)'
Publication date
01/01/2014
Field of study
No full text
Crossref
Dispersion interactions with density functional theory: Bonding description of V–NS bond in vanadium–thionitrosyl complex [(nacnac)(OAr)V(NS)]
Author
Abram
Abram
+64Â more
Baerends
Baldas
Becke
Becke
Bickelhaupt
Bohle
Chang
Chatt
Cheng
Crevier
Davidson
Demadis
Demadis
Dethlefsen
Dethlefsen
Døssing
Ehrlich
El-Samanody
Glendening
Greenhough
Grimme
Grimme
Grimme
Grimme
Hayton
Hubbard
Huebener
Hujo
Johnson
Kang
McCleverty
Michalak
Morokuma
Nalewajski
Pandey
Pandey
Pandey
Pandey
Pandey
Perdew
Perdew
Perdew
Perdew
Pyykkö
Reinel
Richter-Addo
Rodriguez
Ryde
Schaftenaar
Scheibel
Tao
te Velde
Thanthiriwatte
Tran
Tran
van Lenthe
van Lenthe
van Lenthe
von Hopffgerten
Vyboishchikov
Wu
Zhang
Ziegler
Ziegler
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Accurate Structure and Bonding Description of the Transition Metal-Disulfur Monoxide Complexes [(PMe 3
Author
Adamo
Baerends
+73Â more
Becke
Becke
Bickelhaupt
Bould
Braunschweig
Brown
Chang
Colin
Couty
Davidson
Ehlers
Ehrlich
Ernzerhof
Faller
Goerigk
Goerigk
Grimme
Grimme
Grimme
Grimme
Halcrow
Hay
Herberhold
Herberhold
Herberhold
Hoots
Hujo
Ishii
Johnson
Klimes
Krishnan
Li
Li
Marom
Mayer
Mayer
McClean
McMullin
Morokuma
Møller
Nagata
Pandey
Pandey
Pandey
Pandey
Pandey
Pauling
Perdew
Perdew
Perdew
Perdew
Pyykkö
Rimola
Risthaus
Schenk
Schenk
Schmid
Shaver
Siegbahn
Tao
te Velde
Thanthiriwatte
Tokitoh
Urove
Urove
van Lenthe
van Lenthe
van Lenthe
von Hopffgerten
Zhao
Zhu
Ziegler
Ziegler
Publication venue
'Wiley'
Publication date
Field of study
No full text
Crossref
Theoretical insights into M–SO bonds in transition metal-sulfur monoxide complexes [{N(SPMe2)2}2M(SO)] (M = Fe, Ru, Os): Assessment of density functionals and dispersion interactions
Author
Arulsamy
Askevold
+76Â more
Askevold
Baerends
Becke
Becke
Besenyei
Bickelhaupt
Bould
Braunschweig
Böttcher
Chang
Davidson
Ehrlich
Frenking
Goerigk
Goerigk
Gopinathan
Grimme
Grimme
Grimme
Grimme
Heron
Heyke
Huang
Hujo
Höfler
Johnson
Klimes
Krishna K. Pandey
Kubas
Lee
Leung
Li
Lorenz
Lorenz
Marko
Marom
Mayer
Mayer
Mc-Mullin
Morokuma
Pandey
Pandey
Perdew
Perdew
Perdew
Perdew
Pyykkö
Ravi Vishwakarma
Rimola
Risthaus
Schaftenaar
Schenk
Schenk
Schenk
Schenk
Schenk
Schenk
Schenk
Siegbahn
Sunil K. Patidar
Surducan
Tao
te-Velde
Thanthiriwatte
Tuong
van Lenthe
van Lenthe
van Lenthe
von Hopffgerten
Walstrom
Watson
Zhang
Zhao
Zhu
Ziegler
Ziegler
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Accurate theoretical description of the M–PNR2 bonds in phosphinidene complexes of manganese and rhenium [(CO)5M–PNR2]+ (R = Me, iPr, tBu) and [(PMe3)(CO)4M–PNiPr2]+: A DFT-D3 study
Author
Aktas
Aktas
+106Â more
Aktas
Arney
Baerends
Basuli
Becke
Becke
Bickelhaupt
Borst
Borst
Breen
Bulo
Chang
Compain
Compain
Cowley
Cowley
Creve
Creve
Driess
Duffy
Ehlers
Ehlers
Ehrlich
Ellis
Figueroa
Goerigk
Goerigk
Graham
Graham
Graham
Grimme
Grimme
Grimme
Grimme
Guerra
Hitchcock
Hou
Hou
Jacobsen
Johnson
Johnson
Kalinina
Kilgore
Ko
Krishna K. Pandey
Lammertsma
Lammertsma
Lee
Li
Lluc
Marinetti
Masuda
Mathey
Mathey
Mathey
Mathey
Mayer
McMullin
Melenkivitz
Mitoraj
Morokuma
Pandey
Pandey
Pandey
Pandey
Pandey
Pandey
Pandey
Pankaj K. Bariya
Pankaj Patidar
Perdew
Perdew
Perdew
Pikies
Pradeep Tiwari
Pyykkö
Rajgopalan
Ravi Vishwakarma
Ryde
Sanchez-Nieves
Schaftenaar
Siegbahn
Sterenberg
Sterenberg
Sterenberg
Sterenberg
Sunil K. Patidar
Tao
te Velde
Tertman
Tertman
Tertman
Thanthiriwatte
Vaheesar
van Lenthe
van Lenthe
van Lenthe
von Hopffgerten
Waterman
Wicker
Wit
Zhang
Zhao
Zhu
Ziegler
Ziegler
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Theoretical insights into the relative bonding of normal and abnormal N-heterocyclic carbenes in [PdCl 2
Author
Adamo
Albrecht
+112Â more
Albrecht
Alcarazo
Appelhans
Arduengo
Arnold
Barbante
Baron
Becke
Becke
Bellemin-Laponnaz
Bernhammer
Bertr
Bickelhaupt
Boehme
Chang
Chianese
Comas-Vives
Corma
Crabtree
César
Davidson
Dinda
Donnelly
DÃez- González
DÃez-González
Frenking
Frémont
Gade
Glorius
Gong
Gradert
Grimme
Gründemann
Gründemann
Guo
Hahn
Hashmi
Heinemann
Hindi
Hirtenlehmer
Hopkinson
Jacobsen
Jacobsen
Jacobsen
Johnson
Kausamo
Keitz
Kriechbaun
Lavallo
Lavallo
Lebel
Lee
Lee
Lenthe
Lenthe
Lenthe
Leyva-Pérez
Manzano
Marchione
Marion
Marom
Mayer
Mercs
Morokuma
Nemcsok
Nolan
Nolan
Orbisagkia
Pandey
Pandey
Parsegian
Perdew
Perdew
Perdew
Perez
Poyatos
Pugh
Pyykkö
Rana
Reed
Rudolph
Saha
Saravanakumar
Sau
Schaper
Schuster
Schwarz
Siravam
Song
Tafipolsky
Tang
Tao
Te Velde
Tonner
Velazquez
Viciano
von Hopffgerten
Wang
Wanzlick
Weaver
Weskamp
Weskamp
Xu
Xu
Yan
Yang
Yuan
Zhao
Ziegler
Ziegler
Zuo
Öfele
Publication venue
'Wiley'
Publication date
Field of study
No full text
Crossref
The nature of M-PNR2 bonds in the electrophilic phosphinidene complexes [(L)(CO)3M{PNR2}]+ (L = PMe3, PPh3; M = Co, Rh, Ir; R = Me, iPr): Structure, bonding and 31P NMR study
Author
Aktas
Aktas
+120Â more
Aktas
Baerends
Basuli
Becke
Becke
Behrle
Bickelhaupt
Borst
Borst
Breen
Bulo
Carbtee
Carty
Chang
Compain
Compain
Cowley
Cowley
Creve
Creve
Doddi
Driess
Duffy
Ehlers
Ehlers
Ehrlich
Ellis
Eshuis
Figueroa
Frenking
Goerigk
Goerigk
Goerigk
Graham
Graham
Graham
Grimme
Grimme
Hao
Hitchcock
Hou
Jacobsen
Jameson
Johnson
Johnson
Johnson
Kalinina
Kilgore
Krishna K. Pandey
Kühl
Labat
Lammertsma
Lammertsma
Lee
Li
Li
Li
Lluc
Marinetti
Masuda
Mathey
Mathey
Mathey
Mathey
Mathey
Mayer
Melenkivitz
Michalak
Mitoraj
Morokuma
Mulliken
Nguyen
Pandey
Pandey
Pandey
Pandey
Pandey
Pandey
Perdew
Perdew
Perdew
Perdew
Pikies
Pyykkö
Rajagopalan
Rajgopalan
Ravi Vishwakarma
Ryde
Sanchez-Nieves
Schreckenbach
Schreckenbach
Searles
Seidl
Sterenberg
Sterenberg
Sterenberg
Sterenberg
Tao
Tertman
Tertman
Thanthiriwatte
Tolman
Trtman
Vaheesar
van Lenthe
van Lenthe
van Lenthe
Velde
von Hopffgerten
Waterman
Wicker
Wit
Wolff
Wolff
Wolinski
Wong
Zhao
Zhu
Ziegler
Ziegler
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref