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14 research outputs found
Growth, molecular structure and characterization of L-Isoleucinium hydrogen maleate hemihydrate (LIM) NLO single crystal by density function theory
Author
Arkhipov
Ben Geoffrey
+11Â more
Fathima Rozwana
Givand
Hemalatha
Hemalatha
Morell
Raajaraman
Ramarajan
Ramasamy
Ramesh
Santhy
Thomas
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
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
Spectroscopic, quantum computational and molecular docking studies on 1-phenylcyclopentane carboxylic acid
Author
Abraham
Adeniji
+41Â more
Andrei
B
Berman
BR Raajaraman
Chand
Chandralekha
De Oliveira
Dennington
Driscoll
Farver
Frisch
Fukui
Fustero
Hamid
Jayasheela
Jomroz
Joselin Beaula
L. The PyMOL Molecular Graphics System
Lu
Manjusha
Manjusha
Manzoor Ali
Margulis
Mckinnon
Morris
Muthu
Muthu
N.R. Sheela
Raajaraman
Rajamani
Ramkumar
S. Muthu
Sathyanarayana
Senthil Raj
Smith
Stefane
Sureshkumar
Tian
Wolf
Wolinski
Zeng
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Vibrational and computational analysis for molecular structure properties of N-(2-(trifluoromethyl)phenyl)acetamide: Density functional theory approach
Author
Bhanumathy Ramarathinam Raajaraman
Frisch J.
+8Â more
Murugesan Raja
Nielsen A. B.
Sambanthan Muthu
Seetharaman Janani
Shafi Aayisha
Sundaram Sevvanthi
Timiri Sathyamurthy Renuga Devi
Varsanyi G.
Publication venue
'Informa UK Limited'
Publication date
Field of study
No full text
Crossref
Investigations on 2-(4-Cyanophenylamino) acetic acid by FT-IR,FT-Raman, NMR and UV-Vis spectroscopy, DFT (NBO, HOMO-LUMO, MEP and Fukui function) and molecular docking studies
Author
Abraham
Al-Shalalfeh
+48Â more
Antoine
Antoine
Basha
Brahim
Chen
Colthup
Daina
Edwin
Fathima Rizwana
Federman
Frisch
Ghalla
Ghose
Gunasekaran
Habib Rahuman
Irikura
Issa
Issaoui
Jomroz
Kearon
Lipinski
Madan Kumar
Martinez
Mary
Mary
Morris
Muthu
Onawole
Ott
Paula
Raajaraman
Raajaraman
Raja
Rajamani
Renuga
Roeges
Saleh
Saleh
Sarojini
Seshadri
Shukla
Socrates
Sulaiman
Thomas
Uma Maheswari
Vania
Weigel
Xavier
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Exploration of experimental and theoretical properties of 5,5-dimethyl 3-amino-cyclohex-2-en-1-one (AMINE DIMEDONE) by DFT/TD-DFT with ethanol and DMSO as solvents and molecular docking studies
Author
Aayisha
Azzaro
+61Â more
Bannikova
Basha
Boger
Chen
Curran
Daina
Daina
Dannhardt
Debrus
Denislamova
Ditchfield
Dolly
Dreimane
Eberlin
Eddington
Edmondson
Frisch
Fukui
Gatfaoui
Geoffrey
Greenhill
Greenhill
Hagen
Han
Henriksson
Hermann
Howard
Issa
Jiang
Kascheres
Khairia
Kragh-Hansen
Kucklaender
Littell
Littell
Morris
Muthu
Noury
Ozols
Ozols
Pettersen
Raajaraman
Raajaraman
Roth
Rudenko
Rudenko
Salama
Santhy
Scott
Sekino
Shanmugavadivu
Shoba
Siddiqui
Swarnalatha
Tahenti
Tandon
Varsanyi
Venkatalaxmi
Wang
Zhao
Çırak
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Analysis of spectroscopic, quantum chemical calculations, molecular docking, RDG, ELF, anticancer and antimicrobial activity studies on bioactive molecule 2-[3-(4-Chlorophenyl)-5-(4-(propane-2-yl) phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-(4-methoxyphenyl)-1,3-thiazol
Author
Aayisha
Abdel-Sattar
+68Â more
Abraham
Agarwal
Al-Tamimi
Alzoman
Amul
Ayers
Becke
Beegum
Benzon
Chaitanya
Chandralekhaa
Chen
Coates
Colthup
DeLano
Dennington
El-Azab
Esme
Fatma
Frisch
Fuentealba
Gong
Haress
Hiremath
Hoffmann
Humphrey
Jaffrey
Jayasheela
Karaca
Karthick
Khajehzadeh
Khemalapure
Krishna Murthy
Krishnakumar
Kumar
Kurt
Kuruvilla
Lagunin
Lu
Morell
Morris
Murugavel
Prabhu
Raajaraman
Raajaraman
Ramesh
Renjith
Rizwana
Roeges
Salian
Sangeetha Margreat
Sert
Shana Parveen
Sharma
Shyma Mary
Srivastava
Sureshkumar
Swisłocka
Thomas
TĂ©llez Soto
Ulahannan
Venkatesh
Vennila
Viji
Viji
Wu
Xavier
Zilberg
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Quantum computational, spectroscopic and molecular docking investigations on 4-Acetylamino-benzoic acid methyl ester: A prospective anticancer drug
Author
Abraham
Anto Christy
+44Â more
Balachandar
Boobalan
Bragiel
Chandralekha
Dikmen
Fathima Rizwana
Frisch
Imai
Irikura
Kamata
Kasuya
Keresztury
Khanapure
Kobayashi
Larik
Lin-Vien
Lu
Manjusha
Mansour
Mirza
Morris
Nakano
Nielsen
Oliver
Otero
Porchelvi
Prajapati
Raajaraman
Ragupahi
Renuga
S
S
Santhy
Serdaroglu
Sevvanthi
Shafieyoon
Shafieyoon
Shweta
Song
Thirunavukarasu
Thomas
Thomas
Vijayakumar
Yadav
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Spectroscopic and quantum computational study on naproxen sodium
Author
Abraham
Abraham
+79Â more
Ayers
B.R. Raajaraman
Bader
Bader
Bader
Balachandran
Barnes
Becke
Becke
Bär
Colthup
Derry
Di Martino
Dollish
Fathima Rizwana
Frisch
George
Ghose
Gunasekaran
Irikura
Issaoui
Jacob George
Jamroz
Johanan Christian Prasana
Johnson
Jomroz
Kamitsos
Karabacak
Kim
Kleinman
Kolandaivel
Kragh-Hansen
Kuruvilla
Lakshmi
Lewis
Lipinski
Lipinski
McIver
Morris
Muthu
Muthu
Muthu
Muthu
O’Boyle
Parr
Parthasarathi
Peesole
Poater
Raajaraman
Rajesh
Ramalingama
Ramesh
Rastogi
Ravikumar
Renuga
Rinnu Sara Saji
S. Muthu
Sakthivel
Sarojini
Sherin Percy PremaLeela
Shyam Vinod Kumar
Sidir
Silverstein
Sinha
Socrates
Socrates
Sundaraganesan
Sundaraganesan
Tanak
Tintu K. Kuruvilla
Todd
Udhayakalaa
Uma Maheswari
Vane
Varasanyi
Willkens
Wilson
Wolinski
Zhang
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
An antibacterial and biocompatible piperazine polymer
Author
Beyth
Bowler
+51Â more
Cheng
Cheng
Cheng
Cushnie
da Silva
Dang
Dissemond
EI-Sayed
Elsaka
Ferraris
Gupta
Jabes
Kalle
Kenawy
Lee
Li
Li
Li
Li
Li
Liu
Lu
Luo
Martinez
Matet
Molina
Pan
Park
Parvathi
Raajaraman
Reynolds
Robey
Sevinç
She
Silva
Som
Sun
Sun
Taniguchi
Torrent
Torrent
Unnithan
Wang
Xie
Xu
Zasloff
Zhang
Zhang
Zhao
Zhu
Zilberman
Publication venue
'Royal Society of Chemistry (RSC)'
Publication date
01/01/2019
Field of study
No full text
Crossref
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