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1

Cell Membrane Penetration without Pore Formation: Chameleonic Properties of Dendrimers in Response to Hydrophobic and Hydrophilic Environments

Luca, Sergio, Seal, Prasenjit, Parekh, Harendra S., Tupally, Karnaker R., Smith, Sean C.

Journal:

Advanced Theory and Simulations

Year:

2020

File:

PDF, 2.75 MB

2020

2

Is nucleus-independent chemical shift scan a reliable aromaticity index for planar and neutral A2B2 clusters?

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 1.24 MB

english, 2009

3

Searching of potential energy curves for the benzene dimer using dispersion-corrected density functional theory

Jha, Prakash Chandra, Rinkevicius, Zilvinas, Ågren, Hans, Seal, Prasenjit, Chakrabarti, Swapan

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 947 KB

english, 2008

4

Large Entropic Effects on the Thermochemistry of Silicon Nanodusty Plasma Constituents

Seal, Prasenjit, Truhlar, Donald G.

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 6.19 MB

english, 2014

5

Nonlinear Optical Properties of the Hula Hoop [ n ]-Cycloparaphenylenes and Their Halo Derivatives at Nd:YAG Laser Frequency

Seal, Prasenjit

Journal:

ChemistrySelect

Year:

2017

Language:

english

File:

PDF, 3.40 MB

english, 2017

6

Time-resolved, broadband UV-absorption spectrometry measurements of Criegee intermediate kinetics using a new photolytic precursor: unimolecular decomposition of CH 2 OO and its reaction with formic acid

Peltola, Jari, Seal, Prasenjit, InkilÃ¤, Anni, Eskola, Arkke

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 2.64 MB

2020

7

Reply to “Comment on ‘Origin of the Nonplanarity of Tetrafluoro Cyclobutadiene, C 4 F 4 '”

Seal, Prasenjit, Chakrabarti, Swapan

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 263 KB

english, 2007

8

Explicit role of dynamical and nondynamical electron correlation on singlet–triplet splitting in carbenes

Prasenjit Seal, Swapan Chakrabarti

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 801 KB

english, 2007

9

Role of π-Conjugation in Influencing the Magnetic Interactions in Dinitrenes: A Broken-Symmetry Approach

Ghosh, Rikhia, Seal, Prasenjit, Chakrabarti, Swapan

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 79 KB

english, 2010

10

Thermochemistry of radicals formed by hydrogen abstraction from 1-butanol, 2-methyl-1-propanol, and butanal

Papajak, Ewa, Seal, Prasenjit, Xu, Xuefei, Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 348 KB

english, 2012

11

Ab initio investigation on the nonlinear optical properties of CdnTen (n = 1–10) clusters

Prasenjit Seal, Sabyasachi Sen, Swapan Chakrabarti

Journal:

Chemical Physics

Year:

2010

Language:

english

File:

PDF, 859 KB

english, 2010

12

Dynamical Interactions of 5-Fluorouracil Drug with Dendritic Peptide Vectors: The Impact of Dendrimer Generation, Charge, Counter-Ions and Structured Water

De Luca, Sergio, Seal, Prasenjit, Ouyang, Defang, Parekh, Harendra S., Kannam, Sridhar Kumar, Smith, Sean C.

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 3.97 MB

english, 2016

13

Kinetics of the Hydrogen Atom Abstraction Reactions from 1-Butanol by Hydroxyl Radical: Theory Matches Experiment and More

Seal, Prasenjit, Oyedepo, Gbenga, Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.94 MB

english, 2013

14

Nanodusty plasma chemistry: a mechanistic and variational transition state theory study of the initial steps of silyl anion–silane and silylene anion–silane polymerization reactions

Bao, Junwei Lucas, Seal, Prasenjit, Truhlar, Donald G.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.10 MB

english, 2015

15

Origin of the Nonplanarity of Tetrafluoro Cyclobutadiene, C 4 F 4

Seal, Prasenjit, Chakrabarti, Swapan

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 175 KB

english, 2007

16

[IEEE Image Processing (ICVGIP) - Bhubaneswar, India (2008.12.16-2008.12.19)] 2008 Sixth Indian Conference on Computer Vision, Graphics & Image Processing - A Novel Learning-Based Framework for Detecting Interesting Events in Soccer Videos

Jain, Nisha, Chaudhury, Santanu, Roy, Sumantra Dutta, Mukherjee, Prasenjit, Seal, Krishanu, Talluri, Kumar

Year:

2008

Language:

english

File:

PDF, 1.32 MB

english, 2008

17

Scalar relativistic effect on lattice dimerization in metastable gold nanowire of finite length

Prasenjit Seal, Swapan Chakrabarti

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 137 KB

english, 2007

18

Magnetic interactions in dehydrogenated Guanine–Cytosine base pair

Prasenjit Seal, Prakash Chandra Jha, Hans Ågren, Swapan Chakrabarti

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 244 KB

english, 2008

19

Suitability of Double Hybrid Density Functionals and Their Dispersion-Corrected Counterparts in Producing the Potential Energy Curves for CO 2 −Rg (Rg: He, Ne, Ar and Kr) Systems

Seal, Prasenjit, Chakrabarti, Swapan

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 810 KB

english, 2009

20

First-Principle Framework for Total Charging Energies in Electrocatalytic Materials and Charge-Responsive Molecular Binding at Gas–Surface Interfaces

Tan, Xin, Tahini, Hassan A., Seal, Prasenjit, Smith, Sean C.

Journal:

ACS Applied Materials & Interfaces

Year:

2016

Language:

english

File:

PDF, 2.19 MB

english, 2016

21

clusters

Sen, Sabyasachi, Seal, Prasenjit, Chakrabarti, Swapan

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 62 KB

english, 2006

22

Binding and Release between Polymeric Carrier and Protein Drug: pH Mediated Interplay of Coulomb forces, Hydrogen Bonding, van der Waals Interactions and Entropy

De Luca, Sergio, Chen, Fan, Seal, Prasenjit, Stenzel, Martina H., Smith, Sean C.

Journal:

Biomacromolecules

Year:

2017

Language:

english

File:

PDF, 2.40 MB

english, 2017

23

, Na, and K)

Sen, Sabyasachi, Seal, Prasenjit, Chakrabarti, Swapan

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 260 KB

english, 2007

24

Entropic Effects on the Free Energies of Clusters in Silane Plasmas

Seal, Prasenjit, Zheng, Jingjing, Truhlar, Donald G.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 2.93 MB

english, 2015

25

Static first order hyperpolarizabilities of DNA base pairs: A configuration interaction study

Prasenjit Seal, Prakash Chandra Jha, Swapan Chakrabarti

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 341 KB

english, 2008

26

Kinetics of the Hydrogen Abstraction from Carbon-3 of 1-Butanol by Hydroperoxyl Radical: Multi-Structural Variational Transition-State Calculations of a Reaction with 262 Conformations of the Transition State

Seal, Prasenjit, Papajak, Ewa, Truhlar, Donald G.

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 1.98 MB

english, 2012

27

Enhancing Cationic Drug Delivery with Polymeric Carriers: The CoulombâpH Switch Approach

De Luca, Sergio, Treny, Jennifer, Chen, Fan, Seal, Prasenjit, Stenzel, Martina H., Smith, Sean C.

Journal:

Advanced Theory and Simulations

Year:

2020

File:

PDF, 1.18 MB

2020

28

Carbondioxide rare-gas systems: Sensitivity of basis sets and double-hybrid density functionals

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 101 KB

english, 2010

29

Static and dynamic polarizabilities of (CdSe)n (n = 1–16) clusters

Prakash Chandra Jha, Prasenjit Seal, Sabyasachi Sen, Hans Ågren, Swapan Chakrabarti

Journal:

Computational Materials Science

Year:

2008

Language:

english

File:

PDF, 455 KB

english, 2008

30

Statistical thermodynamics of 1-butanol, 2-methyl-1-propanol, and butanal

Seal, Prasenjit, Papajak, Ewa, Yu, Tao, Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 525 KB

english, 2012

31

Unraveling Photocatalytic Mechanism and Selectivity in PET‐RAFT Polymerization

Seal, Prasenjit, Xu, Jiangtao, Luca, Sergio, Boyer, Cyrille, Smith, Sean C.

Journal:

Advanced Theory and Simulations

Year:

2019

Language:

english

File:

PDF, 1.05 MB

english, 2019

32

Magnetic Interactions in Alkyl Substituted Cyclohexane Diradical Systems: A Broken Symmetry Approach

Seal, Prasenjit, Chakrabarti, Swapan

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 222 KB

english, 2008

33

A Comparative Study of the Nonlinear Optical Properties of CdnXn(X: S, Se and Te) Clusters

Sabyasachi Sen, Prasenjit Seal, Swapan Chakrabarti

Journal:

Journal of Cluster Science

Year:

2010

Language:

english

File:

PDF, 977 KB

english, 2010

34

Assessment of range-separated time-dependent density-functional theory for calculating C6 dispersion coefficients

Toulouse, Julien, Rebolini, Elisa, Gould, Tim, Dobson, John F., Seal, Prasenjit, Ángyán, János G.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 545 KB

english, 2013

35

CH/π Interaction in Benzene and Substituted Derivatives with Halomethane: A Combined Density Functional and Dispersion-Corrected Density Functional Study

Dey, Ram Chandra, Seal, Prasenjit, Chakrabarti, Swapan

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.56 MB

english, 2009

36

Is Nucleus-Independent Chemical Shift Scan a Reliable Aromaticity Index for Planar Heteroatomic Ring Systems?

Seal, Prasenjit, Chakrabarti, Swapan

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 316 KB

english, 2007

37

Nonlinear Optical Switching Properties in the Furylfulgide Aberchrome 540−Dihydrobenzofuran Derivative Pair of Photochromic Materials

Seal, Prasenjit, Chakrabarti, Swapan

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.83 MB

english, 2010

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