Karsili, Tolga N. V.: search on Z-Library

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1

Comparative study of methodologies for calculating metastable states of small to medium-sized molecules

Thodika, Mushir, Fennimore, Mark, Karsili, Tolga N. V., Matsika, Spiridoula

Journal:

The Journal of Chemical Physics

Year:

2019

File:

PDF, 2.03 MB

2019

2

Solvent induced conformer specific photochemistry of guaiacol

Greenough, Simon E., Horbury, Michael D., Thompson, James O. F., Roberts, Gareth M., Karsili, Tolga N. V., Marchetti, Barbara, Townsend, Dave, Stavros, Vasilios G.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.07 MB

english, 2014

3

Comparative study of methodologies for calculating metastable states of small to medium-sized molecules

Thodika, Mushir, Fennimore, Mark, Karsili, Tolga N. V., Matsika, Spiridoula

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 2.03 MB

english, 2019

4

Ultrafast Excited-State Dynamics of 2,4-Dimethylpyrrole†

Staniforth, Michael, Young, Jamie D., Cole, Daniel R., Karsili, Tolga N. V., Ashfold, Michael N. R., Stavros, Vasilios G.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.35 MB

english, 2014

5

Photodissociation dynamics of the pyridinyl radical: Time-dependent quantum wave-packet calculations

Ehrmaier, Johannes, Picconi, David, Karsili, Tolga N. V., Domcke, Wolfgang

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 14.31 MB

english, 2017

6

Photofragmentation dynamics of N , N -dimethylformamide following excitation at 193 nm

Lipciuc, M. Laura, Gardiner, Sara H., Karsili, Tolga N. V., Lee, Jason W. L., Heathcote, David, Ashfold, Michael N. R., Vallance, Claire

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 7.65 MB

english, 2017

7

Tuning photochemistry: substituent effects on πσ* state mediated bond fission in thioanisoles

Wenge, Andreas M., Karsili, Tolga N. V., Rodríguez, Javier Diaz, Cotterell, Michael I., Marchetti, Barbara, Dixon, Richard N., Ashfold, Michael N. R.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.73 MB

english, 2015

8

The origin of fluorescence in DNA thio-analogues

Karsili, Tolga N.V., Thodika, Mushir, Nguyen, Linh, Matsika, Spiridoula

Journal:

Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.12 MB

english, 2018

9

O–H bond fission in 4-substituted phenols: S1 state predissociation viewed in a Hammett-like framework

Karsili, Tolga N. V., Wenge, Andreas M., Harris, Stephanie J., Murdock, Daniel, Harvey, Jeremy N., Dixon, Richard N., Ashfold, Michael N. R.

Journal:

Chemical Science

Year:

2013

Language:

english

File:

PDF, 1003 KB

english, 2013

10

Electron-induced origins of prebiotic building blocks of sugars: mechanism of self-reactions of a methanol anion dimer

Karsili, Tolga N. V., Fennimore, Mark A., Matsika, Spiridoula

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.79 MB

english, 2018

11

Structure, DFT Calculations, and Magnetic Characterization of Coordination Polymers of Bridged Dicyanamido-Metal(II) Complexes

Mautner, Franz A., Jantscher, Patricia, Fischer, Roland C., Torvisco, Ana, Vicente, Ramon, Karsili, Tolga N. V., Massoud, Salah S.

Journal:

Magnetochemistry

Year:

2019

File:

PDF, 4.40 MB

2019

12

Dynamics of the A-band ultraviolet photodissociation of methyl iodide and ethyl iodide via velocity-map imaging with ‘universal’ detection

Gardiner, Sara H., Lipciuc, M. Laura, Karsili, Tolga N. V., Ashfold, Michael N. R., Vallance, Claire

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.30 MB

english, 2015

13

On the Mechanism of Photocatalytic Water Splitting with Graphitic Carbon Nitride: Photochemistry of the Heptazine-Water Complex

Ehrmaier, Johannes, Karsili, Tolga N. V., Sobolewski, Andrzej L., Domcke, Wolfgang

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.36 MB

english, 2017

14

Ultraviolet photodissociation of gas-phase transition metal complexes: dicarbonylcyclopentadienyliodoiron(II)

Hansen, Christopher S., Marchetti, Barbara, Karsili, Tolga N. V., Ashfold, Michael N. R.

Journal:

Molecular Physics

Year:

2020

File:

PDF, 3.59 MB

2020

15

A ‘bottom up’, ab initio computational approach to understanding fundamental photophysical processes in nitrogen containing heterocycles, DNA bases and base pairs

marchetti, barbara, Karsili, Tolga, Ashfold, Michael N R, Domcke, Wolfgang

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 3.70 MB

english, 2016

16

Mechanistic insights into excited state intramolecular proton transfer in isolated and metal chelated supramolecular chemosensors

Karsili, Tolga N. V., Marchetti, Barbara, Ashfold, Michael N. R.

Journal:

Dalton Transactions

Year:

2016

Language:

english

File:

PDF, 2.10 MB

english, 2016

17

Role of Electron-Driven Proton-Transfer Processes in the Ultrafast Deactivation of Photoexcited Anionic 8-oxoGuanine-Adenine and 8-oxoGuanine-Cytosine Base Pairs

Wu, Xiuxiu, Karsili, Tolga, Domcke, Wolfgang

Journal:

Year:

2017

Language:

english

File:

PDF, 3.60 MB

english, 2017

18

The Role of 1 ∗ States in the Formation of Adenine Radical-Cations in DNA Duplexes

Karsili, Tolga N.V., Marchetti, Barbara, Ashfold, Michael N.R.

Journal:

Chemical Physics

Year:

2018

Language:

english

File:

PDF, 977 KB

english, 2018

19

Oxidative Addition of Singlet Oxygen to Model Building-Blocks of the Aerucyclamide a Peptide: A First Principles Approach

Karsili, Tolga N. V., Marchetti, Barbara

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 331 KB

english, 2019

20

Competing 1πσ* mediated dynamics in mequinol: O–H versus O–CH3 photodissociation pathways

Hadden, David J., Roberts, Gareth M., Karsili, Tolga N. V., Ashfold, Michael N. R., Stavros, Vasilios G.

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.52 MB

english, 2012

21

Exploring Norrish Type I and Type II Reactions: An ab initio Mechanistic Study Highlighting Singlet-State Mediated Chemistry.

Karsili, Tolga, Marchetti, Barbara, Ashfold, Michael N R

Journal:

Physical Chemistry Chemical Physics

Year:

2019

Language:

english

File:

PDF, 1006 KB

english, 2019

22

Towards Understanding Photodegradation Pathways in Lignins: The Role of Intramolecular Hydrogen Bonding in Excited States

Young, Jamie D., Staniforth, Michael, Dean, Jacob C., Roberts, Gareth M., Mazzoni, Federico, Karsili, Tolga N. V., Ashfold, Michael N. R., Zwier, Timothy S., Stavros, Vasilios G.

Journal:

The Journal of Physical Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 1.24 MB

english, 2014

23

Photofragment Translational Spectroscopy Studies of H Atom Loss Following Ultraviolet Photoexcitation of Methimazole in the Gas Phase

Cooper, Graham, Hansen, Christopher S., Karsili, Tolga N.V., Ashfold, Michael N.R.

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 2.65 MB

english, 2018

24

UV Photodissociation of Pyrroles: Symmetry and Substituent Effects

Karsili, Tolga N. V., Marchetti, Barbara, Moca, Roberta, Ashfold, Michael N. R.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.91 MB

english, 2013

25

An exploration of the reactivity of singlet oxygen with biomolecular constituents

Marchetti, Barbara, Karsili, Tolga N. V.

Journal:

Chemical Communications

Year:

2016

Language:

english

File:

PDF, 938 KB

english, 2016

26

The near ultraviolet photodissociation dynamics of 2- and 3-substituted thiophenols: Geometric vs. electronic structure effects

Marchetti, Barbara, Karsili, Tolga N. V., Cipriani, Maicol, Hansen, Christopher S., Ashfold, Michael N. R.

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 5.49 MB

english, 2017

27

Probing the Ultrafast Energy Dissipation Mechanism of the Sunscreen Oxybenzone after UVA Irradiation

Baker, Lewis A., Horbury, Michael D., Greenough, Simon E., Coulter, Philip M., Karsili, Tolga N. V., Roberts, Gareth M., Orr-Ewing, Andrew J., Ashfold, Michael N. R., Stavros, Vasilios G.

Journal:

The Journal of Physical Chemistry Letters

Year:

2015

Language:

english

File:

PDF, 523 KB

english, 2015

28

Exploring the Dynamics of the Photoinduced Ring-Opening of Heterocyclic Molecules

Ashfold, Michael N. R., Bain, Matthew, Hansen, Christopher S., Ingle, Rebecca A., Karsili, Tolga N. V., Marchetti, Barbara, Murdock, Daniel

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 7.94 MB

english, 2017

29

Photoinduced C–H bond fission in prototypical organic molecules and radicals

Ashfold, Michael N R, Ingle, Rebecca A, Karsili, Tolga, Zhang, Jingsong

Journal:

Physical Chemistry Chemical Physics

Year:

2019

Language:

english

File:

PDF, 2.60 MB

english, 2019

30

Quantifying rival bond fission probabilities following photoexcitation: C–S bond fission in t-butylmethylsulfide

Bain, Matthew, Hansen, Christopher S, Karsili, Tolga, Ashfold, Michael N R

Journal:

Chemical Science

Year:

2019

File:

PDF, 1.07 MB

2019

31

Structure, DFT Calculations, and Magnetic Characterization of Coordination Polymers of Bridged Dicyanamido-Metal(II) Complexes

Mautner, Franz A., Jantscher, Patricia, Fischer, Roland C., Torvisco, Ana, Vicente, Ramon, Karsili, Tolga N. V., Massoud, Salah S.

Journal:

Magnetochemistry

Year:

2019

Language:

english

File:

PDF, 4.40 MB

english, 2019

32

Copper-catalyzed enantioselective direct Î±-C-H amination of Î²-dicarbonyl derivatives with aryl hydroxylamines and mechanistic insights

Rajmani Singh, Rahul Kumar, Karsili, Tolga N.V., Srivastava, Radhey

Journal:

Molecular Catalysis

Year:

2020

File:

PDF, 1.11 MB

2020

33

Photocatalytic water splitting with acridine dyes: Guidelines from computational chemistry

Liu, Xiaojun, Karsili, Tolga N.V., Sobolewski, Andrzej L., Domcke, Wolfgang

Journal:

Chemical Physics

Year:

2016

Language:

english

File:

PDF, 952 KB

english, 2016

34

The Role of Norrish Type-I Chemistry in Photoactive Drugs: An ab initio Study of a Cyclopropenone-Enediyne Drug Precursor

LÃ©ger, Spencer J., Marchetti, Barbara, Ashfold, Michael N. R., Karsili, Tolga N. V.

Journal:

Frontiers in Chemistry

Year:

2020

File:

PDF, 919 KB

2020

35

Mechanisms of H and CO loss from the uracil nucleobase following low energy electron irradiation

Fennimore, Mark A., Karsili, Tolga N. V., Matsika, Spiridoula

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.84 MB

english, 2017

36

Near ultraviolet photochemistry of 2-bromo- and 2-iodothiophene: Revealing photoinduced ring opening in the gas phase?

Marchetti, Barbara, Karsili, Tolga N. V., Kelly, Orla, Kapetanopoulos, Panos, Ashfold, Michael N. R.

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 6.35 MB

english, 2015

37

Origins of Photodamage in Pheomelanin Constituents: Photochemistry of 4-Hydroxybenzothiazole

Karsili, Tolga N. V., Marchetti, Barbara, Matsika, Spiridoula

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 1.02 MB

english, 2018

38

Mechanisms of photoreactivity in hydrogen-bonded adenine–H 2 O complexes

Wu, Xiuxiu, Ehrmaier, Johannes, Sobolewski, Andrzej L., Karsili, Tolga N. V., Domcke, Wolfgang

Journal:

Physical Chemistry Chemical Physics

Year:

2019

Language:

english

File:

PDF, 3.58 MB

english, 2019

39

Toolbox of Nonmetallocene Lanthanides: Multifunctional Catalysts in Group-Transfer Polymerization

Adams, Friederike, Machat, Martin R., Altenbuchner, Peter T., Ehrmaier, Johannes, Pöthig, Alexander, Karsili, Tolga N. V., Rieger, Bernhard

Journal:

Inorganic Chemistry

Year:

2017

Language:

english

File:

PDF, 2.11 MB

english, 2017

40

Mechanistic insights into photoinduced damage of DNA and RNA nucleobases in the gas phase and in bulk solution.

Chakraborty, Pratip, Karsili, Tolga, Marchetti, Barbara, Matsika, Spiridoula

Journal:

Faraday Discussions

Year:

2017

Language:

english

File:

PDF, 4.49 MB

english, 2017

41

Excited-State Deactivation of Adenine by Electron-Driven Proton-Transfer Reactions in Adenine-Water Clusters: A Computational Study

Wu, Xiuxiu, Karsili, Tolga N. V., Domcke, Wolfgang

Journal:

Year:

2016

Language:

english

File:

PDF, 910 KB

english, 2016

42

A First Step Towards a Universal Fluorescent Probe: Unravelling the Photodynamics of an Amino-Maleimide Fluorophore

Staniforth, Michael, Quan, Wen-Dong, Karsili, Tolga N. V., Baker, Lewis A., O'Reilly, Rachel K., Stavros, Vasilios G.

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.75 MB

english, 2017

43

Quantifying rival bond fission probabilities following photoexcitation: C–S bond fission in t-butylmethylsulfide

Bain, Matthew, Hansen, Christopher S, Karsili, Tolga, Ashfold, Michael N R

Journal:

Chemical Science

Year:

2019

Language:

english

File:

PDF, 1.07 MB

english, 2019

44

Photocatalytic Water Splitting with the Acridine Chromophore: A Computational Study

Liu, Xiaojun, Karsili, Tolga N. V., Sobolewski, Andrzej L., Domcke, Wolfgang

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 2.91 MB

english, 2015

45

ChemInform Abstract: A ′Bottom Up′, ab initio Computational Approach to Understanding Fundamental Photophysical Processes in Nitrogen Containing Heterocycles, DNA Bases and Base Pairs

Marchetti, Barbara, Karsili, Tolga N. V., Ashfold, Michael N. R., Domcke, Wolfgang

Journal:

Year:

2016

File:

PDF, 17 KB

2016

46

Photofragmentation Dynamics in Solution Probed by Transient IR Absorption Spectroscopy: πσ*-Mediated Bond Cleavage in p -Methylthiophenol and p -Methylthioanisole

Murdock, Daniel, Harris, Stephanie J., Karsili, Tolga N. V., Greetham, Gregory M., Clark, Ian P., Towrie, Michael, Orr−Ewing, Andrew J., Ashfold, Michael N. R.

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 1.37 MB

english, 2012

47

Extreme population inversion in the fragments formed by UV photoinduced S–H bond fission in 2-thiophenethiol

Ingle, Rebecca A., Karsili, Tolga N. V., Dennis, Gregg J., Staniforth, Michael, Stavros, Vasilios G., Ashfold, Michael N. R.

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.59 MB

english, 2016

48

Hydrogen-Deuterium Exchange in Basic Near-Critical and Supercritical Media: An Experimental and Theoretical Study

Alburquerque, Pia R., Ramachandran, Bala R., Junk, Thomas, Karsili, Tolga N. V.

Journal:

Journal of Physical Chemistry A

Year:

2020

File:

PDF, 398 KB

2020

49

Affordable Setup for Studying Photochemistry in Action in Undergraduate Teaching Laboratories: Principles and Applications

Tran, Jennifer B., McCoy, Julia C., Bailey, Lori M., McDaniel, Brody P., Simon, Ryan L., Marchetti, Barbara, Karsili, Tolga N. V.

Journal:

Journal of Chemical Education

Year:

2020

File:

PDF, 2.97 MB

2020

50

Photocrosslinking between nucleic acids and proteins: general discussion

Bhat, Vinayak, Cogdell, Richard, Crespo-Hernández, Carlos E., Datta, Ankona, De, Arijit, Haacke, Stefan, Helliwell, John, Improta, Roberto, Joseph, Joshy, Karsili, Tolga, Kohler, Bern, Krishnan, Rethe

Journal:

Faraday Discussions

Year:

2018

Language:

english

File:

PDF, 547 KB

english, 2018

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