S. Manogaran

发表

Conformation And C-N Rotational Barrier Of Dithiocarbamate Esters Nmr And Molecular-Orbital Studies

K.R.Gayathri Devi, S. Manogaran, D. Sathyanarayana, 1981 .

Anharmonicity in compliance formalism: Potential constants and interaction coordinates

S. Manogaran, Dhivya Manogaran, 2021, International Journal of Quantum Chemistry.

Molecular vibrations, electronic structure and conformation of diprotonated thiocarbohydrazide

K. Volka, S. Manogaran, D. Sathyanarayana, 1981 .

A comparison of the molecular orbital (ab initio, CNDO and EHT) methods applied to the conformational study of thiocarbonohydrazide in its basic and diprotonated forms

S. Manogaran, D. Sathyanarayana, 1983 .

Quantification of Aromaticity Based on Interaction Coordinates: A New Proposal.

H. Schaefer, S. Manogaran, S. Pandey, 2016, The journal of physical chemistry. A.

A relook at the compliance constants in redundant internal coordinates and some new insights.

S. Manogaran, M. Vijay Madhav, 2009, The Journal of chemical physics.

Infrared spectra of dimethylquinolines in the gas phase: experiment and theory.

P. Das, P. Das, E. Arunan, 2010, The journal of physical chemistry. A.

Two-dimensional 1H NMR of three spin-labeled derivatives of bovine pancreatic trypsin inhibitor.

I. Kuntz, N. Oppenheimer, V. Basus, 1986, Biochemistry.

Vibrational spectra of adamantanes X10H16 and diamantanes X14H20 (X=C, Si, Ge, Sn): A theoretical study

S. Manogaran, G. Ramachandran, 2006 .

Redundant internal coordinates, compliance constants and non-bonded interactions – some new insights

M. Majumder, S. Manogaran, 2013, Journal of Chemical Sciences.

Electronic structure and vibrational spectra of X20H20 (X=C, Si, Ge, Sn) : A theoretical study

S. Manogaran, G. Ramachandran, 2005 .

Vibrational spectra of cubane and azacubane: a theoretical study

S. Manogaran, G. Ramachandran, 2005 .

Molecular vibrations and conformation of primary dithiocarbamate ester. Infrared and NMR studies on S-methyl dithiocarbamate

K.R.Gayathri Devi, S. Manogaran, D. Sathyanarayana, 1981 .

Force fields and assignments of the vibrational spectra of acridine and phenazine—an ab initio study

S. Manogaran, I. Bandyopadhyay, 2000 .

Force field and assignment of the vibrational spectra of phenanthrene—an ab initio study

S. Manogaran, I. Bandyopadhyay, 2000 .

Vibrational spectra of fluorene, 1-methylfluorene and 1,8-dimethylfluorene

P. Das, P. Das, S. Manogaran, 2013 .

Vibrational frequencies of cysteine and serine zwitterions—an ab initio assignment

P. Tarakeshwar, S. Manogaran, 1995 .

NMR (1H, 13C) and MO (ab initio, CNDO/2, EHT) studies on basic and N-protonated hydrazinecarbothioamide

S. Manogaran, D. Sathyanarayana, 1983 .

1H and 13C NMR and infrared spectroscopic study of the conformational equilibria in S-methyl dithiocarbazate

S. Manogaran, D. Sathyanarayana, 1983 .

Conformational characterization of S-methyl dithiocarbazate by infrared spectra and vibrational assignments.

S. Manogaran, D. Sathyanarayana, 1982 .

13C NMR spectra of 1,3-dipyridyl- and pyridylphenylthioureas. Chemical shift assignments and conformational implications

S. Manogaran, D. Sathyanarayana, L. Sudha, 1986 .

Vibrational spectra of triamantane X18H24, iso-tetramantane X22H28 and cyclohexamantane X26H30 (X = C, Si, Ge, Sn) – A theoretical study

S. Manogaran, G. Ramachandran, 2007 .

Conformations and vibrations of dicarboxylic acids. An ab initio study

P. Tarakeshwar, S. Manogaran, 1996 .

Ground state vibrations of citric acid and the citrate trianion-an ab initio study

P. Tarakeshwar, S. Manogaran, 1994 .

Molecular conformation of N,N′‐diarylthioureas: An assessment by 1H NMR and infrared spectroscopy

S. Manogaran, D. Sathyanarayana, L. Sudha, 1985 .

Theoretical study of the ground state vibrations of methoxydifluorophosphine-d0 and -d3

S. Manogaran, D. Chakraborty, 1993 .

Vibrational analysis of glycine zwitterion – an ab initio study

S. Manogaran, D. Chakraborty, 1998 .

An ab initio study of pyruvic acid

P. Tarakeshwar, S. Manogaran, 1998 .

Density functional theory and tight-binding quantum chemical molecular dynamics calculations on Ce1–xCuxO2–δ catalyst and the adsorptions of CH3OH and CH3O on Ce1–xCuxO2–δ

A. Endou, A. Miyamoto, M. Kubo, 2004 .

Interpretation and accurate prediction of vibrational spectra—a modified ab initio scaled quantum mechanical approach

S. Manogaran, D. Chakraborty, 1998 .

THEORETICAL PREDICTION OF VIBRATIONAL SPECTRUM OF N-GLYCYLGLYCINE HYDROCHLORIDE : AN AB INITIO STUDY

S. Manogaran, D. Chakraborty, 1997 .

Proline and hydroxyproline zwitterions—an ab initio study

P. Tarakeshwar, S. Manogaran, 1997 .

Vibrational frequencies of proline and hydroxyproline An ab initio study

P. Tarakeshwar, S. Manogaran, 1996 .

1H shielding anisotropy in Mg(OH)2: The isolated OH− group

R. Kaliaperumal, S. Manogaran, R. Sears, 1988 .

Substituent effects on the aromaticity of benzene-An approach based on interaction coordinates.

H. Schaefer, S. Manogaran, Dhivya Manogaran, 2019, The Journal of chemical physics.

Possible reaction of atomic nitrogen with SFx (X = 1–5 and CFx (X = 1–3) fragments from N2SF6 and N2CF4 discharges

N. Sathyamurthy, S. Kumar, S. Manogaran, 1994 .

Intramolecular hydrogen bond: Can it be part of the basis set of valence internal coordinates in normal mode analysis?

P. Das, E. Arunan, S. Manogaran, 2015, Journal of Chemical Sciences.

Ground state vibrational spectra of corannulene: a theoretical study

V. Tewari, S. Manogaran, I. Bandyopadhyay, 2001 .

Impact of extended pi conjugation on methyl rotor-induced IVR in aromatic molecules.

T. Chakraborty, S. Manogaran, S. S. Panja, 2005, The journal of physical chemistry. A.

Deoxyribose ring conformation of [d(GGTATACC)]2: an analysis of vicinal proton-proton coupling constants from two-dimensional proton nuclear magnetic resonance.

G. Zon, T. James, S. Manogaran, 1988, Biochemistry.

Quantification of Aromaticity of Heterocyclic Systems Using Interaction Coordinates.

H. Schaefer, S. Manogaran, Dhivya Manogaran, 2018, The journal of physical chemistry. A.

Conformational effects on vibrational frequencies of cysteine and serine : an ab initio study

P. Tarakeshwar, S. Manogaran, 1994 .

Quantification of Hydrogen Bond Strength Based on Interaction Coordinates: A New Approach.

H. Schaefer, S. Manogaran, S. Pandey, 2017, The journal of physical chemistry. A.

Stereoselective synthesis of substituted tetrahydrofurans - identification and analysis by proton NMR and MNDO, MM2 calculations

J. Iqbal, P. Tarakeshwar, S. Manogaran, 1991 .

A new scaling algorithm for predicting vibrational spectra of polyatomic molecules

S. Manogaran, M. Vijay Madhav, 2009 .

Force field calculation of molecules with isotopomers of different symmetries in vibrational spectral analysis

S. Manogaran, S. Maheshwary, Devesh Ragubanshi, 2001 .

Cobalt(II) acetate promoted addition of acetoacetate to terminal olefins: A highly stereoselective synthesis of 5-alkyl-2-hydroxy 2 methyl-3-methoxycarbonyl tetrahydrofurans

J. Iqbal, S. Manogaran, T. Kumar, 1989 .

Ground state vibrational spectra of cysteine and serine zwitterion: a theoretical prediction

S. Manogaran, D. Chakraborty, 1998 .

Ground state vibrations of tropylium cation (C7H7+)—An ab initio study

S. Manogaran, I. Bandyopadhyay, 1998 .

Ground state vibrational spectra of cysteine and serine hydrochlorides: A theoretical prediction

S. Manogaran, D. Chakraborty, 1998 .

Ground state vibrations of N-glycylglycine hydrochloride : an ab initio study

S. Manogaran, D. Chakrabborty, A. Yash, 1994 .