Molecular structure, the effect of solvent on UV–vis and NMR, FT–IR and FT–Raman spectra, NBO, frontier molecular orbital analysis of Mitomycin anticancer drug

Effect Of Solvent ◽

Ft Ir ◽

Orbital Analysis ◽

Ft Raman

Molecular structure, vibrational spectroscopic, natural bond orbital analysis, frontier molecular orbital analysis and thermodynamic properties of N-tert-butoxy carbonyl-L-phenylalanine by DFT methods

Materials Research Innovations ◽

10.1080/14328917.2018.1477544 ◽

2018 ◽

Vol 23 (6) ◽

pp. 330-344 ◽

Cited By ~ 3

Author(s):

B. Raja ◽

V. Balachandran ◽

B. Revathi ◽

K. Anitha

Keyword(s):

Molecular Structure ◽

Thermodynamic Properties ◽

Molecular Orbital ◽

Natural Bond Orbital ◽

Natural Bond Orbital Analysis ◽

Dft Methods ◽

Molecular structure, vibrational spectroscopic, hyperpolarizability, natural bond orbital analysis, frontier molecular orbital analysis and thermodynamic properties of 2,3,4,5,6-pentafluorophenylacetic acid

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.02.129 ◽

2014 ◽

Vol 127 ◽

pp. 473-483 ◽

Cited By ~ 2

Author(s):

V. Balachandran ◽

V. Karunakaran

Keyword(s):

Molecular Structure ◽

Thermodynamic Properties ◽

Molecular Orbital ◽

Natural Bond Orbital ◽

Natural Bond Orbital Analysis ◽

ChemInform Abstract: Molecular Structure of Gaseous Titanium Tris(tetrahydroborate), Ti(BH4) 3: Experimental Determination by Electron Diffraction and Molecular Orbital Analysis of Some Ti(BH4)3 Derivatives.

ChemInform ◽

10.1002/chin.199124001 ◽

2010 ◽

Vol 22 (24) ◽

pp. no-no

Author(s):

C. J. DAIN ◽

A. J. DOWNS ◽

M. J. GOODE ◽

D. G. EVANS ◽

K. T. NICHOLLS ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Experimental Determination ◽

Molecular Orbital ◽

ChemInform Abstract: KINETIC ACIDITY OF DIASTEREOTOPIC PROTONS IN SULFONIUM IONS. 2. THIOLANIUM CATIONS. X-RAY MOLECULAR STRUCTURE OF 8-METHYL-8-THIONIABICYCLO(4.3.0)NONANE TETRAFLUOROBORATE AND QUANTITATIVE PERTURBATIONAL MOLECULAR ORBITAL ANALYSIS OF DI

Chemischer Informationsdienst ◽

10.1002/chin.198231063 ◽

1982 ◽

Vol 13 (31) ◽

Author(s):

G. D. ANDREETTI ◽

F. BERNARDI ◽

A. BOTTONI ◽

A. FAVA

Keyword(s):

Molecular Structure ◽

Molecular Orbital ◽

X Ray ◽

Sulfonium Ions ◽

Kinetic Acidity ◽

Theoretical study of the C- vs. O-Acylation of metal enolates. Frontier molecular orbital analysis including solvent effects

International Journal of Quantum Chemistry ◽

10.1002/qua.560480863 ◽

1993 ◽

Vol 48 (S27) ◽

pp. 713-721 ◽

Cited By ~ 1

Author(s):

Victor G. Saragoni ◽

Renato R. Contreras ◽

Arie J. Aizman

Keyword(s):

Molecular Orbital ◽

Solvent Effects ◽

Theoretical Study ◽

ChemInform Abstract: An Approach to Functionalized Cubanes. Regioselectivities and Frontier Molecular Orbital Analysis in the Addition of Dimethyl Cyclobutadiene- 1,2-dicarboxylate to Quinones.

ChemInform ◽

10.1002/chin.199427041 ◽

2010 ◽

Vol 25 (27) ◽

pp. no-no

Author(s):

G. MEHTA ◽

M. B. VISWANATH ◽

E. D. JEMMIS ◽

G. N. SASTRY

Keyword(s):

Molecular Orbital ◽

An approach to functionalized cubanes. Regioselectivities and frontier molecular orbital analysis in the addition of dimethyl cyclobutadiene-1,2-dicarboxylate to quinones

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29940000433 ◽

1994 ◽

pp. 433 ◽

Cited By ~ 3

Author(s):

Goverdhan Mehta ◽

M. Balaji Viswanath ◽

Eluvathingal D. Jemmis ◽

G. Narahari Sastry

Keyword(s):

Molecular Orbital ◽

Synthesis, crystal structure, Hirshfeld surface analysis and frontier molecular orbital analysis of 2-((2-hydroxynaphthalen-1-yl)methylene)hydrazinecarbothioamide

Chemical Data Collections ◽

10.1016/j.cdc.2017.11.001 ◽

2017 ◽

Vol 11-12 ◽

pp. 220-231 ◽

Cited By ~ 8

Author(s):

P. Sivajeyanthi ◽

M. Jeevaraj ◽

K. Balasubramani ◽

V. Viswanathan ◽

D. Velmurugan

Keyword(s):

Crystal Structure ◽

Molecular Orbital ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Unusual Regioselective Electrophilic Substitutions in Quinoline Foldamers: Conceptual DFT and Frontier Molecular Orbital Analysis Reveal the Crucial Role of Folding and Substituents

ChemPhysChem ◽

10.1002/cphc.201200397 ◽

2012 ◽

Vol 13 (15) ◽

pp. 3526-3534 ◽

Cited By ~ 4

Author(s):

Madishetti Shravani ◽

Shanigaram Balaiah ◽

Kolupula Srinivas ◽

K. Bhanuprakash ◽

Ivan Huc

Keyword(s):

Molecular Orbital ◽

Crucial Role ◽

Conceptual Dft ◽

Electrophilic Substitutions ◽

ChemInform Abstract: Singlet and Triplet Photocycloaddition Reactions of 2-Pyridones with Propenoate and 2,4-Pentadienoates, and the Frontier Molecular Orbital Analysis.

ChemInform ◽

10.1002/chin.199744055 ◽

2010 ◽

Vol 28 (44) ◽

pp. no-no

Author(s):

T. SUISHU ◽

S. TSURU ◽

T. SHIMO ◽

K. SOMEKAWA

Keyword(s):

Molecular Orbital ◽