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31 research outputs found
Optoelectronic Properties of C60 and C70 Fullerene Derivatives: Designing and Evaluating Novel Candidates for Efficient P3HT Polymer Solar Cells
Author
Dennington
Frisch
+6Â more
Jerzy Leszczynski
Juganta K. Roy
Kar
Roy
Roy
Supratik Kar
Publication venue
'MDPI AG'
Publication date
Field of study
No full text
Crossref
Revealing chemophoric sites in organophosphorus insecticides through the MIA-QSPR modeling of soil sorption data
Author
Barigye
Barigye
+24Â more
Cristina F. Silva
Da Mota
Deng
Dennington II
Felsot
Freitas
Freitas
Freitas
Gramatica
Joyce K. Daré
Mackay
Matheus P. Freitas
Mitra
Nunes
Nunes
O'Hagan
Pixner
Roy
Roy
Roy
Sabljic
Tropsha
Uchimiya
Wen
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Design of end-on cyanato bridged trinuclear Cu(II) Schiff base complex with salen type Schiff base ligand: synthesis, structural investigation and DFT study
Author
Antonio Frontera
Chirantan Roy Choudhury
+11Â more
Dennington R.
Gaussian 09 Revision C.01
Guillaume Pilet
Hathaway B.J.
Nakamoto K.
Nguyen H.H.T.
Rahaman S.H.
Samiran Mitra
Sandeepta Saha
Watkin D.J.
Watkin D.J.
Publication venue
'Informa UK Limited'
Publication date
Field of study
No full text
Crossref
Synthesis, Molecular Docking, and DFT Studies of Some New 2,5-Disubstituted Benzoxazoles as Potential Antimicrobial and Cytotoxic Agents
Author
Arisoy Mustafa
Barile Frank A.
+11Â more
Dennington Tak Roy
Ebru Uzunhisarcikli
Frisch M. J.
Gulcan Kuyucuklu
Ismail Celik
Kaplan Warren
Kayaalp S OÄŸuz
LLC Schrödinger
Meryem Erol
Taşcı Meryem
Ventola C. Lee
Publication venue
'Informa UK Limited'
Publication date
Field of study
No full text
Crossref
Quantitative modeling of bioconcentration factors of carbonyl herbicides using multivariate image analysis
Author
Arnot
Asano
+39Â more
Barigye
Bermúdez-Saldaña
Bonchev
Chiou
Corsonlini
Dennington
Devillers
Duarte
Duarte
Freitas
Freitas
Freitas
Freitas
Gobas
Golbraikh
Gramatica
Grisoni
Grisoni
Grover
Higgins
Jackson
Joyce K. Daré
Lu
Mackay
Mackay
Matheus P. Freitas
Meylan
Mirlaine R. Freitas
Mitra
Nunes
Nunes
Roy
Roy
Stephen J. Barigye
U.S. Environmental Protection Agency (EPA)
Urias
Versar Inc.
Vogs
Zimmerman
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Stereochemical control in the structures of linear δ
Author
Antonczak
Antonczak
+42Â more
Bader
Baldauf
Baldauf
Becke
Bonaccorsi
Branden
Chakraborty
Chakraborty
Chakraborty
Chakraborty
Chakraborty
Chakraborty
Chin
Dewar
Edwards
Edwards
Edwards
Frisch
Gaurrand
Gervay-Hague
Ghose
Gruner
Jensen
Jockusch
Kohn
Krug
Kumar
Lewis
Mourik
Onsager
Peri
Read
Risseeuw
Roy Dennington
Schweizer
Sharma
Tapia
Tosso
Trabocchi
Weinhold
Wong
Černý
Publication venue
'Wiley'
Publication date
Field of study
No full text
Crossref
Synthesis, X-ray crystal structure and DFT calculations of 2′,4′-dihydro-10H-spiro [anthracene-9,3′-benzo[b][1,4]thiazin]-10-amine and 1,3,5 -triindolyl benzene
Author
Ashok
Chattaraj
+45Â more
Dennington
Ernest Davidson
Farrugia
Farrugia
Frisch
Fukui
Gadhe
Geerlings
Ghabbour
Kanagasabai
Kerr
Koch
Labanowski
Macrae
Madhavan
McKinnon
McKinnon
Mills
Murray
Murugavel
Müller
Parr
Parr
Parr
Patel
Paufler
Pauling
Pearson
Politzer
Rajkumar
Roy
Sharma
Sheldrick
Sheldrick
Spackman
Spackman
Spackman
Spek
Sun
Thomson
Tilley
Tsirelson
Tsuneda
Vijayaraj
Zelzer
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
New Cu(II) coordination polymer by chiral tridentate Schiff base ligand
Author
Addison
Agnus
+45Â more
Angaridis
Arimoto
Baral
Bloch
Burla
Butcher
Coronado
De Coste
de Voorde
Deng
Dennington
Di Nicola
Dong
Du
Farrugia
Ferrando-Soria
Ferrer
Ferrer
Frisch
Hassani
Hong
Hoskins
Inoue
Inoue
Le Guennic
Li
Liu
Lo
Lu
Mahdavifar
Mamula
O'Boyle
Ray
Reinares-Fisac
Rikken
Roy
Sarkar
Sato
Seth
Seth
Sheldrick
Train
Turnbull
Wieemann
Zhang
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Novel metal-[metal oxide]-nonmetal sandwich-like superalkali compounds Li 3
Author
Alexandrova
Bergeron
+65Â more
Bergeron
Bergeron
Boldyrev
Boldyrev
Byun
Carpenter
Chen
Chen
Corminboeuf
Cyranski
Dennington
Dudde
Dye
Dye
Dye
Dye
Fang
Frisch
Gagliardi
Goldfuss
Gutsev
Gutsev
Head-Gordon
Ichimura
Kealy
Kim
Krishnan
Kuznetsov
Kuznetsov
Kuznetsov
Lein
Lein
Lein
Li
Li
Li
Li
Li
Lide
Long
Mercero
Mercero
Mercero
Møller
Reed
Roy
Schleyer
Schleyer
Schleyer
Schleyer
Sun
Tehan
Tsipis
Urnezius
Wang
Yang
Yang
Yang
Yang
Yang
Yang
Zhai
Zhan
Zubarev
Zubarev
Publication venue
'Wiley'
Publication date
01/01/2009
Field of study
No full text
Crossref
Interaction of triorganotin(IV) moiety with quinolone antibacterial drug ciprofloxacin: Synthesis, spectroscopic investigation, electronic structure calculation, and biological evaluation
Author
Aldred
Arjmand
+53Â more
Banoub
Carraher
Chandrasekar
Chattaraj
Cieslak
Crowe
Curman
Dennington II
Dokorou
Feller
Frisch
Galani
Geerlings
Girichev
Gresa
Hadjikakou
Hirshfeld
Iftikhar
Johnston
Joshi
Kovala-Demertzi
Kovala-Demertzi
Kumar
Kumari
Lecina
Lockhart
Metz
Mulliken
Nath
Nath
Parr
Parr
Parr
Pellerito
Pokharia
Pokharia
Politzer
Psomas
Reed
Ronconi
Roy
Singh
Tanimoto
Tomasi
Turel
Turel
Turel
Vieira
Weigend
Willem
Yang
Zhao
Zulfiker
Publication venue
'Wiley'
Publication date
Field of study
No full text
Crossref
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