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6 research outputs found
Quantum chemical insight into molecular structure, spectroscopic (FT‒IR, FT‒Raman, UV-vis, NMR), and molecular docking of 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Author
Bernstein
Colthup
+32Â more
Donchet
Duchfield
Frisch
Fujisawa
Gece
Glendening
Gunasekaran
Huey
Kalinowski
Kenawy
Kuzuhara
Mochalkin
Morris
Morris
Morris
Mullican
Muthu
Park
Park
Reed
Renuga
Seshadri
Silverstein
Smith
Sundius
Sundius
Tolstorozhev
Tooke
Ullah
Varsanyi
Wang
Wolinski
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Conformational analysis, spectroscopic, structure–activity relations and quantum chemical simulation studies of 4–(trifluoromethyl)benzylamine
Author
Arjunan
Arjunan
+42Â more
Arjunan
Arjunan
Arjunan
Arjunan
Arjunan
Barfiled
Becke
Becke
Bellamy
Chattaraj
Chidangil
Colthup
David aubry
Dennington
Ditchfield
Duchfield
Fleming
Foster
Geerlings
Hohenberg
Juaristi
Keresztury
Lee
Manaj
Melinda
Misra
Miura
Miyazaki
Murray
Parr
Parr
Parthasarathi
Pearson
Rafferty
Reed
Schleyer
Seminario
Silverstein
Socrates
Varsányi
Wolinski
Yang
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Spectral investigations, DFT computations and molecular docking studies of the antimicrobial 5-nitroisatin dimer
Author
Chandra
Duchfield
+39Â more
Frisch
Glendening
I. Hubert Joe
Jack
Jautelat
Kalinowski
Knappe
Kohn
Krygowski
Ladd
McDevitt
Morris
Naury
Novak
Novak
Pandeya
Parr
Patel
Perez
Politzer
Prakash
Pulay
Pulay
Sathyanarayana
Silverstein
Socrates
Sriram
Stuart
Suetake
Sundius
Sundius
T. Joselin Beaula
V. Bena Jothy
V.K. Rastogi
Varsanyi
Verma
Vine
Wang
Wolinski
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Molecular structure, spectroscopic, Fukui function, RDG, anti-microbial and molecular docking analysis of higher concentration star anise content compound methyl 4-methoxybenzoate-DFT study
Author
Altun
Arjunana
+56Â more
Balachandran
Chattaraj
Chen
Chocholousova
Cinar
Colthup
Duchfield
Fausto
Fleming
Frisch
Glendening
Gupta
Huang
Humphrey
Jayamani
Johnson
Kalinowska
Kalsi
Kanchan
Karabacak
Karabacak
Karabacak
Karabacak
Koopmans
Lakshmaiah
Lynas
Marinova
Meganathan
Morell
Morris
Muthu
O’Boyle
Parsons
Pavia
Peesole
Poiyamozhi
Pople
Rath
Raveendran Pillai
Reed
Roeges
Runge
Sajan
Silverstein
Smith
Socrates
Sundaraganesan
Sundaraganesan
Sundius
Swislocka
Varsanyi
Wei
Wolinski
Yang
Yoshida
Zhang
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Simulations on the structure, vibrations and electronic properties of 1,2–epoxy–3–phenoxy propane and 1,2–epoxy–3–( p –tolyloxy)propane by FT–IR, FT–Raman, FT–NMR and DFT methods
Author
Adiyaman
Arand
+58Â more
Arjunan
Arjunan
Armstrong
Ashvar
Ashvar
Badavi
Badawi
Becke
Becke
Bellamy
Bock
Brown
Bultinck
Cotton
de March
Dennington
Duchfield
Durig
Foster
Fuhrer
Fukui
Geerlings
Gorse
Hohenberg
Kalinowski
Kamal
Keresztury
Kloosterman
Larcheveque
Lee
Lee
Marstokk
Marstokk
Meth–Cohn
Murray
Oesch
Ostrauskaite
Parr
Parr
Pearson
Pihlaja
Porter
Rao
Reed
Reed
Reed
Righi
Sack
Schaus
Schlegel
Sikarwar
Thijs
Varsanyi
Wang
Williams
Wolinski
Wurrey
Yang
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Energy profile analysis, spectroscopic investigations (FT–IR, FT–Raman and FT–NMR), electronic properties, structure‒activity aspects and DFT studies of (1,3‒benzodioxol‒5‒yl)acetic acid
Author
Badawi
Barnes
+60Â more
Becke
Becke
Bezerra-Netto
Bock
Briggs
Bultinck
Camacho
Caminati
Casale
Corredor
Costa
Cozzi
Dal Cason
Dennington
Duchfield
Foster
Fuhrer
Fukui
Geerlings
Gimeno
Gimeno
Gorse
Hohenberg
Kalinowski
Karabacak
Keresztury
Koczon
Kolhe
Kowalczyk
Kumar
Lee
Lee
Micale
Moon
Moreia
Murray
Ogunjobi
Osmialowski
Palheta Rosivaldo
Parr
Parr
Pearson
Prashanth
Ragamathunnisa
Rajamani
Rastogi
Reed
Reed
Reed
Sakurai
Schlegel
Silvestein
Suarez
Trouet
Varsanyi
Wang
Wolinski
Yang
Yang
Yohannan Panicker
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref