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5 research outputs found
Quantum computational, spectroscopic and molecular docking studies of 5,5-dimethylhydantoin and its bromine and chlorine derivatives
Author
Abraham
Amul
+42Â more
Bhavani
Chortani
Daina
Elamurugu Porchelvi
Fatmah
Frisch
Hamano
Hilp
Jomroz
Joselin Beaula
K.Sarojini
Kavitha
Kruszynski
loffe
Lu
Maleki
Mirhaji
Muthu
Muthu
Raajaraman
Raajaraman
Raissi
Raissi
Raissi
Raja
Raja
Rao
Renuga
Rivera
Rizwana
Rizwana
Sakinesh
Santhy
Sevvanthi
Sheela
Uppal
Vinotha
Yoosefian
Yoosefian
Yoosefian
Yoosefian
Yoosefian
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Elaborated molecular structure, molecular docking and vibrational spectroscopic investigation of N-((4-aminophenyl)sulfonyl)benzamide with Density functional theory
Author
Alias
Ayers
+43Â more
Becke
Bellamy
Came
Chandran
Chandran
Chattaraj
Desai
Elamurugu Porchelvi
Frisch
Grinter
Gunasekaran
Gupta
Habib Rahuman
Harikrishna
Klamt
Magdaline
Marquez-RodrÃguez
Medjahed
Morris
Mukesh
Mulliken
Muthu
Ngassa
Pandey
Parr
Pearson
Petrov
Rai
Raja
Renuga
Saad
Sanchez-Bojorge
Sarojini
Shimanouchi
Sidir
Smith
Spire
Swarnalatha
Szafran
Thamarai
Ting-WaiLee
Vijayakumar
Yang
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Evaluation of vibrational, electronic, reactivity and bioactivity of propafenone—A spectroscopic, DFT and molecular docking approach
Author
Abraham
Abraham
+48Â more
Abrigach
Arivazhagan
Atac
Avci
Baek
Becke
Bellamy
Bhavani
Bhavani
Boriani
Brogden
Ecker
Elamurugu Porchelvi
Fathima Rizwana
Frisch
Fuentealba
Fukui
Funck-Brentano
George
Gunasekaran
Harron
Isac Paulraj
Isac Paulraj
Kalinowski
Kanis
Kleinman
Kuruvilla
Kuruvilla
Kuruvilla
Kuruvilla
Lipinski
Lipinski
Murry
Muthu
Muthu
Muthu
Parr
Pearson
Pearson
Rafał
Rastogi
Renuga
Sarojini
Seipel
Silvi
Varsanyi
Varsanyi
Zhang
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
FTIR, FT-RAMAN, NMR, spectra, normal co-ordinate analysis, NBO, NLO and DFT calculation of N,N-diethyl-4-methylpiperazine-1-carboxamide molecule
Author
Ahmed
Amareshwar Rai
+46Â more
Arivazhagan
Arivazhagan
Ataly
Becke
Bellamy
Ditchfield
E. Elamurugu Porchelvi
Fogarasi
Foster
Fukui
Furic
Gece
Govindarajan
Gunasekaran
Gunasekaran
Gunasekaran
Gussonic
Henriksson
Hermann
Hohenberg
Jensen
Kalsi
Keresztury
Lee
Murray
Palafox
Peng
Pulay
Reed
Reed
S. Muthu
Sajan
Sekino
Seshadri
Silverstein
Sun
Sundaraganesan
Sundius
Tabrizi
Varsanyi
Varsanyi
Vijayakuamr
Vilter
Warren
Wiberg
Wolinski
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Understanding field variation, quantum chemical modeling and molecular orbital analyses of trans-3-(trans-4-imidazolyl) acrylic acid
Author
Altun
Anbarasan
+65Â more
Arjunan
Arjunan
Arjunan
Azam
Belletete
Bevan ott
Chidan Kumar
Csizmadia
David Stephen
Demirayak
Deng
Elamurugu Porchelvi
Fogarasi
Friebolin
Frisch
Gladis Anitha
Gulluoglu
Guven
Hammarstrom
Hazelton
Herzberg
James
Kahovec
Keresztury
Keresztury
Krishnakumar
Krishnakumar
Krishnakumar
Krishnakumar
Kulkarni
M. Arivazhagan
Migawa
Minoura
Morell
Mulliken
Nagabalasubramanian
Negwer
Neil
Okulik
Ozdemir
Pawar
Perepichka
Pinchas
Polavarapu
Prabhaharan
Preston
R. Gayathri
Ravikumar
Rohatgi-Mukherjee
Ruchi Srivastava
Sekerci
Selvaraju
Selvaraju
Sundaraganesan
Sundaraganesan
Suresh
Susi
Tandon
Thakurdesai
Tomei
Townsend
Varsanyi
Xavier
Yalcin
Ye
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref