
Understanding chemical phenomena using
Statistical
and Quantum Mechanics
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Barrier Crossing by a Polymer Molecule
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Prof. K.L. Sebastian
Department of
Inorganic and Physical Chemistry
Indian Institute
of Science
Bangalore 560012
Tel: (Office) +91 80
2293 2385
(Resi) +91 80 2360 1166
Fax:
+91 80 2360 1552
+91 80 2360 0683
e-mail: may be found at
the departmental homepage
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Research Interests
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Can one have chemisorbed
molecules which diffuse on the surface by rolling as in the animation? See
our design of a "Molecular Roller"
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Umbrella
Inversion of a Molecular Rattle
Can one
have umbrella inversions through a ring? Our calculations show that cyclononatetraenyl lithium is a molecular rattle in which
lithium atom can go through the ring if one vibrationally
excites it to the 12th vibrational level!
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Some
of my students have written papers on their own, based on the work carried out
in my group:
1) Aniruddha Chakraborty: Curve crossing effects on absorption and resonance Raman
spectra: Analytical treatment for a delta-function coupling
in parabolic potentials, Mol. Phys. 107, 165 (2009).Restore Desktop View
2) Rajarshi Chakrabarti:
Exact analytical evaluation of time
dependent transmission coefficient from the method of reactive flux for an
inverted parabolic barrier, J. Chem. Phys. 126, 134106 (2007);
DOI:10.1063/1.2713108
3) Rajarshi Chakrabarti: Transient
state work fluctuation theorem for a classical harmonic oscillator linearly
coupled to a harmonic bath, PRAMANA 72,
665 (2009)
4) Priyadarshi Satpati: Dcab(2-) – substituted manganese vinylidene
complexes as better electron reservoirs: A DFT study ORGANOMETALLICS, 26, 4771
(2007).
5) Priyadarshi Satpati: Structure and bonding of MCB5H7 and its sandwiched
dimmer CB5H6M-MCB5H6 (M=Si, Ge,
Sn): Isomer stability and
preference for slip distorted structure, Journal of Organometallic
Chemistry, 693, 1159-1165 (2008).
My
Guru:
The
person who had influenced me the most was Professor S.K. Rangarajan (SKR).
He
was a wonderful person, and an outstanding scientist. He passed away in April
2008.
Please
have a look at the following to know more about him:
1)
Obituaries:
2)
An issue of Resonance
which contains articles and editorial on SKR
3) Rama
Kant’s web pages that contain information on SKR
Graduate
Students
Former
graduate Students
P.
Narayanan (Govt. College, Pattambi)
P. Ananthapadmanabhan (Govt. College, Kozhikode)
K. Sumithra (University of Halle)
G. Nalini (CUSAT, deceased)
Alok K.R. Paul
(CECRI, Karaikudi)
Rosabella Puthur (St. Joseph’s College, Irinjalakuda)
Bidisa Das
(IACS, Kolkata)
Aniruddha
Chakraborty (Univ. Oregon)
K.P. Santo
(University of Alberta)
Ananya Debnath (Chemical Engineering Dept, IISc)
Student
Visitors
I have had a few student visitors
to my lab. Typically these are students who are at the first or second
year of their Masters degree and they spend about two months in the lab.
Some have been supported by the Indian Academy of Sciences/IISc
.
Most of them have chosen to continue in Research. Some of the former
visitors are:
- K.Kiran Kumar (IIT Kharagpur), V. Charulatha (IIT Kanpur, now at
UCB), P. Balanarayan (Pune, now at Pune), Keshav Kumar
(IIT Madras, now at Uni. Penn), C.M. Janet (Calicut), Rajarshi Guha (IIT
Kharagpur,now at Penn State), Sayan Bagchi (IIT Kanpur, now at Uni. Penn),
M. Reddy Bogala (Pondicherry), N. Arun Kumar (M.G. University,now at North
Carolina), Sabyashachi Mishra (Hyderabad, now at Tech. Univ. Munchen),
Nandini Ananth (IITMadras, now at UCB) and Sumana Sengupta (Calcutta, now
at BARC), Ambili S. Menon (CUSAT, now at Univ. Sydney), Swati
Srinivasamurthy (IIT Gauhati, now at IISc), G. Padmesh Srinivas(MG
Univeristy, now at Massey Univ. ), Goulven Pourtau (Univ.
Rennes), Nicholas Miller (MIT), Aparna Mukherjee (IIT Roorkee),
Sheena Panicker (Kerala) Vani (CUSAT), S. Siddharth (NIT, Warrangal), N. Bala Saidulu (IIT,
Roorkee)
My
Favorites
·
Mathematics
in Kerala between 1350-1659 AD
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Megamathematics
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Molecular
Garage (My
article on motors)
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Animations
of physical processes
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Physics
2000
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Biology
– Hypertextbook
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Periodic
Table
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Cells
Alive
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Molecules
with funny (silly) names
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Knots
(my article on knots)
The clipart and animations on this homepage have been
taken from the following two sites:
4yeo.com & 321clipart.com