7 research outputs found
X-ray studies, spectroscopic characterisation and DFT calculations for Mn(II), Ni(II) and Cu(II) complexes with 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine
- Author
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Full text linkUnraveling the Role of Î - Conjugation in Thiophene Oligomers for Optoelectronic Properties by DFT/TDDFT Approach
- Author
- Publication venue
- 'FapUNIFESP (SciELO)'
- Publication date
- 01/01/2016
- Field of study
No full textIdentity and function of an essential nitrogen ligand of the nitrogenase cofactor biosynthesis protein NifB
- Author
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textComputational Study of Sorbic Acid Drug Adsorption onto Coronene/Fullerene/Fullerene-Like X12Y12 (X = Al, B and Y = N, P) Nanocages: DFT and Molecular Docking Investigations
- Author
- A Escobedo-Morales
- A Lagunin
- A Nicolai
- AG Lacko
- AH Almuqrin
- AH Almuqrin
- AJ Cohen
- AR Juarez
- B Sureshkumar
- C Dong
- C Ferrand
- C Tang
- C Xu
- D Chimene
- D Schneidman-Duhovny
- DB Kim
- DL Jeanmaire
- E Garcia-Hernandez
- EG Hohenstein
- F Farjadian
- H Zhu
- HR Naderi
- I Ali
- I Timofeeva
- J Chaudhary
- JS Al-Otaibi
- JS Al-Otaibi
- JS Al-Otaibi
- JS Al-Otaibi
- JS Al-Otaibi
- JWA van Beilen
- K Kneipp
- KE Riley
- KS Novoselov
- M Cushen
- M Fleischmann
- M Khodashenas
- M Pan
- M Prosa
- M Sherafati
- M Zhang
- MD Firouzjaei
- MG Albrecht
- MJ Sweetman
- N. M. O’boyle A. L. Tenderholt, an
- P Lazar
- Q Sun
- R Ahamadi
- R Padash
- R Padash
- R Padash
- R Pino-Rios
- S Li
- S Li
- S Li
- S Mitragotri
- S Rad
- S Raut
- S Sabokdast
- SS Asadi-Ojaee
- V Sharma
- W Tang
- X Wang
- Y Jiang
- Y Zhao
- YS Mary
- YS Mary
- YS Mary
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textCharacterization and Electronic Structures of Five Members of the Electron Transfer Series [Re(benzene-1,2-dithiolato) 3
- Author
- Abram U.
- Abram U.
- Abram U.
- Ahlrichs R.
- Al-Mowali A. H.
- Al-Mowali A. H.
- Banerjee P.
- Becke A. D.
- Broderick W. E.
- Campbell S.
- Chandrasekaran P.
- Chung G.
- Connelly N. G.
- Connelly N. G.
- Cowie M.
- de Groot F. M. F.
- DeBeer George S.
- DeBeer George S.
- Dey A.
- Eisenberg R.
- Eisenberg R.
- Eisenberg R.
- Enderle B.
- Formitchev D.
- Friedle S.
- George G. N.
- Glaser T.
- Glaser T.
- Hanson G. R.
- Hedman B.
- Herro-MartĂn J.
- Huang D.
- Kapre R. R.
- Kapre R. R.
- Kapre R. R.
- Kokatam S.
- Lee C. T.
- Liczwek D. L.
- Lim B. S.
- Livage C.
- Lukens W. W.
- Lytle F. W.
- McCleverty J. A.
- Milsmann C.
- Neese F.
- Neese F.
- Neese F.
- Noodleman L.
- Nunes C. D.
- Pantazis D. A.
- Pap J. S.
- Pipek J.
- Pulay P.
- Pulay P.
- Ray K.
- Sarangi R.
- Schaftenaar G.
- Schmidbaur H.
- Schrauzer G. N.
- Schäfer A.
- Schäfer A.
- Shaw J. L.
- Sheldrick G. M.
- Sheldrick G. M.
- Shulman R. G.
- Smith A. E.
- Stiefel E. I.
- Stiefel E. I.
- Szilagyi R. K.
- Tenderholt A. L.
- van Lenthe E.
- van Lenthe E.
- van Lenthe E.
- Wang K.
- Welch J. H.
- Wharton E. J.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
No full textComputational modelling of oxygenation processes in enzymes and biomimetic model complexes
- Author
- Abu-Omar
- Aizman
- Al-Attar
- Aluri
- Angeli
- Atanasov
- Atanasov
- Atanasov
- Atanasov
- Atanasov
- Atanasov
- Atanasov
- Atanasov
- Atanasov
- Atanasov
- Atkins
- Bauernschmitt
- Becke
- Becke
- Berman
- Bodo Martin
- Borowski
- Breneman
- Broda
- Bugg
- Buongiorno
- Börzel
- Cady
- Casida
- Chai
- ChalupskĂ˝
- Cho
- Cobb
- Comba
- Comba
- Comba
- Comba
- Conte
- Cornell
- Cossi
- Costas
- Crawford
- Daul
- Dawson
- de Visser
- de Visser
- de Visser
- de Visser
- de Visser
- de Visser
- de Visser
- de Visser
- de Visser
- de Visser
- de Visser
- de Visser
- Decker
- Decker
- DeVore
- Dreuw
- Fukuzumi
- Georgieva
- Gonzalez
- Green
- Grimme
- Grimme
- Gross
- Gross
- Groves
- GĂĽell
- GĂĽell
- Hampel
- Handy
- Heimdal
- Hernandez-Marin
- Herrick
- Hersleth
- Hirao
- Hirschfelder
- Hoe
- Hoffman
- Hofmann
- Hofmann
- Hofrichter
- Hohenberg
- Hollmann
- Holm
- Hu
- Hu
- Hu
- Hu
- Hu
- Jensen
- Jensen
- Jensen
- Joseph
- Klamt
- Klamt
- Kohn
- Kryatov
- Kumar
- Kumar
- Kumar
- Kumar
- Latifi
- Latifi
- Lee
- Lee
- Leeladee
- Li
- Li
- Liao
- Licini
- Long
- Lonsdale
- MacKerell
- Malkin
- Marenich
- Matthew G. Quesne
- McDonald
- McDouall
- McNamara
- Metz
- Meunier
- Miertus
- Munro
- Møller
- Neese
- Neese
- Neese
- Neese
- Neese
- Nelson
- Nicholls
- Nordlund
- O'Brien
- Ogliaro
- Ortiz de Montellano
- Ortiz de Montellano
- Pascual-Ahuir
- Perdew
- Perdew
- Perdew
- Pestovsky
- Peter Comba
- Pople
- Poulos
- Pratter
- Quintanar
- Ramos
- Rappé
- Raven
- Reiher
- Reuter
- Rittle
- Rod
- Roos
- Roos
- Rosa
- Rudra
- RulĂšek
- RulĂšek
- Rydberg
- Ryde
- Ryde
- Ryde
- Ryle
- Sam P. de Visser
- Schirmer
- Schlegel
- Schrödinger
- Schwabe
- Senn
- Senn
- Sessoli
- Seth
- Sevastik
- Sherwood
- Shin
- Siegbahn
- Siegbahn
- Simmons
- Slater
- Solomon
- Solomon
- Solomon
- Sono
- Steinmann
- Stipanuk
- Straganz
- Sumner
- Svensson
- Swart
- Söderhjelm
- te Velde
- Tenderholt
- Thapper
- Tomasi
- Tomter
- Ulf Ryde
- Van Gisbergen
- Vancoillie
- Vardhaman
- Vardhaman
- Veitch
- Vinyard
- Vosko
- Vreven
- Wachters
- Wang
- Wang
- Warshel
- Webster
- Yamaguchi
- Yoon
- Yoshizawa
- Publication venue
- 'Royal Society of Chemistry (RSC)'
- Publication date
- 01/01/2014
- Field of study
No full textSpectroscopic Characterization of Nitrosyl Complexes
- Author
- A Citra
- A Citra
- A Dey
- A Dey
- A Ghosh
- A Luthra
- A Mulsch
- A Nath
- A Poletti
- A Rompel
- A Wanat
- AA Kamnev
- AA Timoshin
- AD Bochevarov
- AD Procyk
- AF Schreiner
- AF Vanin
- AF Vanin
- AF Vanin
- AF Vanin
- AF Vanin
- AF Vanin
- AJ Sitter
- AJ Thomson
- AL Feig
- AL Kleschyov
- AL Tenderholt
- AM Orville
- AM Tyryshkin
- AR Butler
- AR Diebold
- B D'Autreaux
- B D'Autreaux
- B Fichtlscherer
- B Weber
- BA Frenz
- BB Wayland
- BK Rai
- BK Rai
- BL Haymore
- BL Westcott
- BM Leu
- C Cruz De La
- C Hu
- C Krebs
- C Krebs
- C Ting-Wah Chu
- CA Brown
- CC Mcdonald
- CD Sulok
- CE Johnson
- CG Pierpont
- CH Hsieh
- CL Conrado
- CL Joannou
- CP Brock
- D Gwost
- D Sedney
- DD Klug
- DL Weaver
- DP Linder
- DP Linder
- DW Pipes
- E Faassen Van
- E Obayashi
- EI Solomon
- EI Solomon
- EO Fischer
- EV Ilyakina
- F Aquino
- F Neese
- F Neese
- F Paulat
- F Paulat
- FT Tsai
- G Lang
- G Zoppellaro
- GM Sandala
- GR Wyllie
- GW Brudvig
- H Hori
- H Lewandowska
- H Li Kam Wah
- H Mosbjek
- H Nasri
- H Nasri
- H Ogoshi
- HY Cheng
- IJ Pickering
- J Bordini
- J Cheek
- J HĂĽttermann
- J McMaster
- J Ridley
- J Shearer
- JA Christner
- JA Kaduk
- JA McCleverty
- JA Pople
- JC Woolum
- JC Woolum
- JH Dawson
- JJ Rehr
- JL Alencar
- JL Hess
- JN Armor
- JR Durig
- JS Stamler
- JT Sage
- K Hedberg
- K Ookubo
- K Szaciłowski
- KH Hopmann
- KM Neyman
- L Andersson
- L Andrews
- L Hedberg
- L Malatesta
- LE Goodrich
- LX Chen
- M Abe
- M Boese
- M Hoshino
- M Jaworska
- M Jaworska
- M Kelly
- M Lee
- M Li
- M Ray
- M Wanner
- MA Keese
- MC Hung
- MC Liu
- MD Pluth
- MK Ellison
- MK Ellison
- MMT Khan
- MR Cheesman
- N Lehnert
- N Lehnert
- N Lehnert
- N Sun
- NA Sanina
- NA Sanina
- NA Sanina
- NA Siladke
- NJ Boldt
- O Alnaji
- O Horner
- P Gans
- P Lugo-Mas
- PJ Stephens
- PM Treichel
- R Cammack
- R Hoffmann
- R Kappl
- R Kurian
- RG Hayes
- RG Serres
- RH Morse
- RJ Butcher
- RJ Dai
- RK Behan
- RK Szilagyi
- RK Szilagyi
- RN Armstrong
- RS Mcdowell
- RW Callahan
- S Costanzo
- S Frantz
- S Friedle
- S Hu
- S Patchkovskii
- SD Borges
- SE Shadle
- SE Shadle
- SG Utterback
- SI Gorelsky
- SM Brothers
- T Glaser
- T Glaser
- T Kitagawa
- T Kitagawa
- T Kitagawa
- T Ueno
- T Ueno
- T Ueno
- T Woike
- TA Jackson
- TC Berto
- TC Berto
- TC Berto
- TC Harrop
- TC Harrop
- TT Lu
- TT Lu
- TT Lu
- TW Hayton
- V Borisov
- V Martin-Diaconescu
- V Petrouleas
- V Rusanov
- VK Praneeth
- VK Praneeth
- VKK Praneeth
- VS Oganesyan
- VS Oganesyan
- W Beck
- W Beck
- WR Scheidt
- WR Scheidt
- WR Scheidt
- WR Scheidt
- X Wang
- X Wang
- X Wang
- Y Henry
- Y Henry
- Y Henry
- Y Shiro
- Y Zhang
- Y Zhang
- Y Zhang
- YM Chiou
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
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