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S. Vaitheeswaran
S. Vaitheeswaran
Affiliazione sconosciuta
Email verificata su chem.umass.edu
Titolo
Citata da
Citata da
Anno
Water clusters in nonpolar cavities
S Vaitheeswaran, H Yin, JC Rasaiah, G Hummer
Proceedings of the National Academy of Sciences 101 (49), 17002-17005, 2004
2492004
Electric field and temperature effects on water in the narrow nonpolar pores of carbon nanotubes
S Vaitheeswaran, JC Rasaiah, G Hummer
The Journal of Chemical Physics 121, 7955, 2004
2212004
Automated transition state search and its application to diverse types of organic reactions
LD Jacobson, AD Bochevarov, MA Watson, TF Hughes, D Rinaldo, ...
Journal of chemical theory and computation 13 (11), 5780-5797, 2017
1012017
Water between plates in the presence of an electric field in an open system
S Vaitheeswaran, H Yin, JC Rasaiah
The Journal of Physical Chemistry B 109 (14), 6629-6635, 2005
932005
Hydrophobic and Ionic Interactions in Nano-sized Water Droplets
S Vaitheeswaran, D Thirumalai
Journal of the American Chemical Society 128, 13490-13496, 2006
682006
On the Way to biofuels from furan: discriminating diels–alder and ring-opening mechanisms
S Vaitheeswaran, SK Green, P Dauenhauer, SM Auerbach
ACS Catalysis 3 (9), 2012-2019, 2013
492013
Interactions between amino acid side chains in cylindrical hydrophobic nanopores with applications to peptide stability
S Vaitheeswaran, D Thirumalai
Proceedings of the National Academy of Sciences 105 (46), 17636-17641, 2008
482008
Protein stability at a carbon nanotube interface
S Vaitheeswaran, AE Garcia
The Journal of Chemical Physics 134 (12), 2011
392011
Density functional theory study of mixed aldol condensation catalyzed by acidic zeolites HZSM-5 and HY
AN Migues, S Vaitheeswaran, SM Auerbach
The Journal of Physical Chemistry C 118 (35), 20283-20290, 2014
262014
On the rational design of zeolite clusters
AN Migues, A Muskat, SM Auerbach, W Sherman, S Vaitheeswaran
ACS Catalysis 5 (5), 2859-2865, 2015
242015
Water-mediated interactions between hydrophobic and ionic species in cylindrical nanopores
S Vaitheeswaran, G Reddy, D Thirumalai
The Journal of Chemical Physics 130 (9), 2009
122009
Hydrophobic and ionic-interactions in bulk and confined water with implications for collapse and folding of proteins
S Vaitheeswaran, J Chen, D Thirumalai
Journal of Statistical Physics 145 (2), 276-292, 2011
82011
On the Rational Design of Zeolite Clusters for Converging Reaction Barriers: Quantum Study of Aldol Kinetics Confined in HZSM-5
AN Migues, Q Sun, S Vaitheeswaran, W Sherman, SM Auerbach
The Journal of Physical Chemistry C 122 (40), 23230-23241, 2018
62018
Entropy and enthalpy of interaction between amino acid side chains in nanopores
S Vaitheeswaran, D Thirumalai
The Journal of Chemical Physics 141 (22), 12B623_1, 2014
32014
Aldol condensation of biomass-derived feedstocks in HZSM-5 zeolite: Quantum chemistry and experiments point to keto/enol as the rate-determining step
A Migues, Q Sun, S Vaitheeswaran, W Sherman, X Qi, W Fan, S Auerbach
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017
2017
Density functional theory study of aldol condensation reactions between acetone and biomass-derived aldehydes in delta clusters of HZSM-5
A Migues, S Vaitheeswaran, A Muskat, W Sherman, S Auerbach
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016
2016
DFT study of the mixed aldol condensation reaction catalyzed by acidic zeolites HZSM-5 and HY
AN Migues, S Vaitheeswaran, SM Auerbach
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014
2014
DFT studies of biomass conversion catalyzed by acidic zeolites
S Vaitheeswaran
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014
2014
Water clusters in nonpolar cavities
JC Rasaiah, S Vaitheeswaran, H Yin, G Hummer
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 230, U2901-U2902, 2005
2005
Water between plates in the presence of an electric field
S Vaitheeswaran, H Yin, JC Rasaiah
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 230, U2904-U2904, 2005
2005
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
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