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1

Oscillatory reaction cross sections caused by normal mode sampling in quasiclassical trajectory calculations

Nagy, Tibor, Vikár, Anna, Lendvay, György

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 4.02 MB

english, 2016

2

Thermal and spectroscopic studies on a double-salt-type pyridine–silver perchlorate complex having κ1-O coordinated perchlorate ions

Holló, Berta Barta, Petruševski, Vladimir M., Kovács, Gréta Bettina, Franguelli, Fernanda Paiva, Farkas, Attila, Menyhárd, Alfréd, Lendvay, György, Sajó, István E., Nagy-Bereczki, Laura, Pawar, R. P.,

Journal:

Journal of Thermal Analysis and Calorimetry

Year:

2019

Language:

english

File:

PDF, 1.06 MB

english, 2019

3

Formation of b2+ ions from protonated peptides: an ab initio study

Béla Paizs, György Lendvay, Károly Vékey, Sándor Suhai

Journal:

Rapid Communications in Mass Spectrometry

Year:

1999

Language:

english

File:

PDF, 189 KB

english, 1999

4

Special issue dedicated to “Cleaner Combustion 2011” conference

María U. Alzueta, Marina Braun-Unkhoff, Pierre-Alexandre Glaude, György Lendvay, Luis M. Serra

Journal:

Year:

2012

Language:

english

File:

PDF, 75 KB

english, 2012

5

The effect of the position of methyl substituents on photophysical and photochemical properties of [Ru(x,x′-dmb)(CN)4]2− complexes: experimental confirmation of the theoretical predictions

Szabó, Péter, Lendvay, György, Horváth, Attila, Kovács, Margit

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.51 MB

english, 2011

6

Calculated versus measured product distributions of the OH + D 2 reaction

Garcia, Ernesto, Saracibar, Amaia, Rodriguez, Aurelio, Laganà, Antonio, Lendvay, György

Journal:

Molecular Physics

Year:

2006

Language:

english

File:

PDF, 317 KB

english, 2006

7

A general formulation of the quasiclassical trajectory method for reduced-dimensionality reaction dynamics calculations

Nagy, Tibor, Vikár, Anna, Lendvay, György

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.55 MB

english, 2018

8

Solvent Dependence of Absorption and Emission Spectra of Ru(bpy) 2 (CN) 2 : Experiment and Explanation Based on Electronic Structure Theory

Fodor, Lajos, Lendvay, György, Horváth, Attila

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 517 KB

english, 2007

9

Thermal Decomposition of NCN: Shock-Tube Study, Quantum Chemical Calculations, and Master-Equation Modeling

Busch, Anna, González-García, Núria, Lendvay, György, Olzmann, Matthias

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.23 MB

english, 2015

10

Dynamics of Bimolecular Reactions of Vibrationally Highly Excited Molecules: Quasiclassical Trajectory Studies

Bene, Erika, Lendvay, György, Póta, György

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 193 KB

english, 2005

11

H + CD 4 Abstraction Reaction Dynamics: Excitation Function and Angular Distributions †

Camden, Jon P., Hu, Wenfang, Bechtel, Hans A., Brown, Davida J. Ankeny, Martin, Marion R., Zare, Richard N., Lendvay, György, Troya, Diego, Schatz, George C.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 519 KB

english, 2006

12

H + CD 4 Abstraction Reaction Dynamics: Product Energy Partitioning †

Hu, Wenfang, Lendvay, György, Troya, Diego, Schatz, George C., Camden, Jon P., Bechtel, Hans A., Brown, Davida J. A., Martin, Marion R., Zare, Richard N.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 683 KB

english, 2006

13

The Dynamics of Complex-Forming Bimolecular Reactions: A Comparative Theoretical Study of the Reactions of H Atoms With O 2 ( 3 Σ G- ) and O 2 ( 1 ∆ g )

Szabó, Péter, Lendvay, György

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 993 KB

english, 2015

14

Synthesis of 2-Ureido-4-ferrocenyl Pyrimidine Guests. Investigation of Complementary Molecular Recognition of 2,6-Diaminopyridine

Fehér, Csaba, Papp, Máté, Gömöry, Ágnes, Nagy, Lívia, Wouters, Johan, Lendvay, György, Skoda-Földes, Rita

Journal:

Organometallics

Year:

2016

Language:

english

File:

PDF, 1.57 MB

english, 2016

15

Synthesis of zwitterionic phosphapalladacycles: unusual reactivity pattern of six-membered P,N-chelates

Szi-Ferenc, László, Császár, Zsófia, Lendvay, György, Bényei, Attila, Balogh, Szabolcs, Nánási, Balázs, Farkas, Gergely, Bakos, József

Journal:

Organometallics

Year:

2018

Language:

english

File:

PDF, 842 KB

english, 2018

16

Kinetics and thermochemistry of the reaction of 3-methylpropargyl radical with molecular oxygen

Pekkanen, Timo T., Timonen, Raimo S., Lendvay, György, Rissanen, Matti P., Eskola, Arkke J.

Journal:

Proceedings of the Combustion Institute

Year:

2018

Language:

english

File:

PDF, 1011 KB

english, 2018

17

Photophysics and photochemistry of kinetically labile, water-soluble porphyrin complexes

Ottó Horváth, Róbert Huszánk, Zsolt Valicsek, György Lendvay

Journal:

Coordination Chemistry Reviews

Year:

2006

Language:

english

File:

PDF, 475 KB

english, 2006

18

Ground and excited state dynamics of new dinuclear ruthenium complexes: NMR, UV–Vis, IR, electrochemical, photophysical characterization, and theoretical study of Ru(bpy)2(μ-dpp)Ru(CN–X)4n+ complexes

Margit Kovács, Gábor Szalontai, György Lendvay, Günter Grampp, Attila Horváth

Journal:

Inorganica Chimica Acta

Year:

2012

Language:

english

File:

PDF, 730 KB

english, 2012

19

Importance of Intersystem Crossing in the S( 3 P, 1 D) + H 2 → SH + H Reaction †

Maiti, Biswajit, Schatz, George C., Lendvay, György

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 295 KB

english, 2004

20

Gateway Modes in the Collisional Energy Transfer from Highly Vibrationally Excited CS 2

Lendvay, György

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 167 KB

english, 1997

21

Improved dimethylzinc-promoted vinylation of nitrones with vinylboronic esters

Nageswaran PraveenGanesh, Cristina de Candia, Antony Memboeuf, György Lendvay, Yves Gimbert, Pierre Y. Chavant

Journal:

Journal of Organometallic Chemistry

Year:

2010

Language:

english

File:

PDF, 605 KB

english, 2010

22

A Reinterpretation of the Mechanism of the Simplest Reaction at an sp 3 -Hybridized Carbon Atom: H + CD 4 → CD 3 + HD

Camden, Jon P., Bechtel, Hans A., Ankeny Brown, Davida J., Martin, Marion R., Zare, Richard N., Hu, Wenfang, Lendvay, György, Troya, Diego, Schatz, George C.

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 54 KB

english, 2005

23

Choice of gas kinetic rate coefficients in the vibrational relaxation of highly excited polyatomic molecules

Lendvay, Gyorgy, Schatz, George C.

Journal:

Journal of Physical Chemistry

Year:

1992

Language:

english

File:

PDF, 593 KB

english, 1992

24

Structure and energetics of poly(ethylene glycol) cationized by Li+, Na+, K+ and Cs+: a first-principles study

Vékey, Károly, Memboeuf, Antony, Lendvay, György

Journal:

European Journal of Mass Spectrometry

Year:

2011

Language:

english

File:

PDF, 2.21 MB

english, 2011

25

Glutathione as a Prebiotic Answer to α-Peptide Based Life

Fiser, Béla, Jójárt, Balázs, Szőri, Milán, Lendvay, György, Csizmadia, Imre G., Viskolcz, Béla

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 2.24 MB

english, 2015

26

Steric effects enforce double stereoselective N-coordination in twelve-membered binuclear palladium(II)-complexes containing chiral bridging aminoalkyl-phosphine ligands

Császár, Zsófia, Stágel, Kristóf, Balogh, Szabolcs, Bényei, Attila, Lendvay, György, Farkas, Gergely, Bakos, József

Journal:

Journal of Organometallic Chemistry

Year:

2017

Language:

english

File:

PDF, 1005 KB

english, 2017

27

Observation of highly energetic collisions in classical trajectory studies of collisional energy transfer

Lendvay, Gyorgy., Schatz, George C.

Journal:

Journal of Physical Chemistry

Year:

1990

Language:

english

File:

PDF, 373 KB

english, 1990

28

Structure and bonding in binuclear metal carbonyls from the analysis of domain averaged Fermi holes. I. Fe2(CO)9 and Co2(CO)8

Robert Ponec, György Lendvay, Joaquin Chaves

Journal:

Journal of Computational Chemistry

Year:

2008

Language:

english

File:

PDF, 394 KB

english, 2008

29

Testing the Palma-Clary Reduced Dimensionality Model Using Classical Mechanics on the CH 4 + H -> CH 3 + H 2 Reaction

Vikár, Anna, Nagy, Tibor, Lendvay, György

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 1000 KB

english, 2016

30

Flame inhibition chemistry: rate coefficients of the reactions of HBr with CH3 and OH radicals at high temperatures determined by quasiclassical trajectory calculations

Góger, Szabolcs, Szabó, Péter, Czako, Gabor, Lendvay, György

Journal:

Year:

2018

Language:

english

File:

PDF, 1008 KB

english, 2018

31

An Experimental Kinetic Study of the Methyl-Vinyl Radical + O 2 Reactions Associated with Propene Oxidation

Joshi, Satya P., Pekkanen, Timo T, Timonen, Raimo S., Lendvay, Gyorgy, Eskola, Arkke J.

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 464 KB

english, 2019

32

Proton mobility and main fragmentation pathways of protonated lysylglycine

István Pál Csonka, Béla Paizs, György Lendvay, Sándor Suhai

Journal:

Rapid Communications in Mass Spectrometry

Year:

2001

Language:

english

File:

PDF, 1.13 MB

english, 2001

33

Formation, photophysics, and photochemistry of cadmium(II) complexes with 5,10,15,20-tetrakis(4-sulfonatophenyl)porphyrin and its octabromo derivative: The effects of bromination and the axial hydroxo ligand

Zsolt Valicsek, Ottó Horváth, György Lendvay, Ilijana Kikaš, Irena Škorić

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Year:

2011

Language:

english

File:

PDF, 1013 KB

english, 2011

34

Quantum scattering studies of collisional energy transfer from highly excited polyatomic molecules: A bend-stretch model of He + CS2

György Lendvay, George C. Schatz

Journal:

Berichte der Bunsengesellschaft für physikalische Chemie

Year:

1997

Language:

english

File:

PDF, 1.02 MB

english, 1997

35

Electrochemical and quantum chemical studies on the formation of protective films by alkynols on iron

Gabriella Lendvay-Győrik, Gábor Mészáros, Béla Lengyel, György Lendvay

Journal:

Corrosion Science

Year:

2003

Language:

english

File:

PDF, 551 KB

english, 2003

36

Bimolecular Reactions of Vibrationally Excited Molecules. Roaming Atom Mechanism at Low Kinetic Energies

Bencsura, Ákos, Lendvay, György

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.98 MB

english, 2012

37

Characterization of the progress of chemical reactions by ab initio bond orders

Lendvay, Gyorgy

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 803 KB

english, 1994

38

Effects of reactant rotational excitation on H + O2→ OH + O reaction rate constant: quantum wave packet, quasi-classical trajectory and phase space theory calculations

Lin, Shi Ying, Guo, Hua, Lendvay, György, Xie, Daiqian

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 710 KB

english, 2009

39

Adiabatic Switching Extended To Prepare Semiclassically Quantized Rotational–Vibrational Initial States for Quasiclassical Trajectory Calculations

Nagy, Tibor, Lendvay, György

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 882 KB

english, 2017

40

Proton mobility in protonated peptides: a joint molecular orbital and RRKM study

István Pál Csonka, Béla Paizs, György Lendvay, Sándor Suhai

Journal:

Rapid Communications in Mass Spectrometry

Year:

2000

Language:

english

File:

PDF, 411 KB

english, 2000

41

Trajectory Surface Hopping Study of the O( 3 P) + Ethylene Reaction Dynamics †

Hu, Wenfang, Lendvay, György, Maiti, Biswajit, Schatz, George C.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 182 KB

english, 2008

42

Unexpected Sequential NH 3 /H 2 O Solid/Gas Phase Ligand Exchange and Quasi-Intramolecular Self-Protonation Yield [NH 4 Cu(OH)MoO 4 ], a Photocatalyst Misidentified before as (NH 4 ) 2 Cu(MoO 4 ) 2

Sajó, István E., Bakos, László P., Szilágyi, Imre M., Lendvay, György, Magyari, József, Mohai, Miklós, Szegedi, Ágnes, Farkas, Attila, Jánosity, Anna, Klébert, Szilvia, Kótai, László

Journal:

Inorganic Chemistry

Year:

2018

Language:

english

File:

PDF, 4.83 MB

english, 2018

43

Formation of a2+ ions of protonated peptides. An ab initio study

Béla Paizs, Zoltán Szlávik, György Lendvay, Károly Vékey, Sándor Suhai

Journal:

Rapid Communications in Mass Spectrometry

Year:

2000

Language:

english

File:

PDF, 288 KB

english, 2000

44

Dynamics of the O-Atom Exchange Reaction 16 O( 3P ) + 18 O 18 O( 3 Σ g– ) → 16 O 18 O( 3 Σ g– ) + 18 O( 3P ) at Hyperthermal Energies

Lahankar, Sridhar A., Zhang, Jianming, Minton, Timothy K., Guo, Hua, Lendvay, György

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 4.34 MB

english, 2016

45

Substituent effect on the dynamics of the inclusion complex formation between protoberberine alkaloids and cucurbit[7]uril

Miskolczy, Zsombor, Biczók, László, Lendvay, György

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 3.09 MB

english, 2018

46

Double stereoselective coordination of chiral N,S ligands: Synthesis, coordination chemistry and utilization in Pd-catalyzed allylic alkylation

Major, Máté Miklós, Rövid, Gergő, Balogh, Szabolcs, Bényei, Attila, Lendvay, György, Frigyes, Dávid, Bakos, József, Farkas, Gergely

Journal:

Applied Organometallic Chemistry

Year:

2018

Language:

english

File:

PDF, 900 KB

english, 2018

47

Substituent Effect on the Photoreduction Kinetics of Benzophenone

Demeter, Attila, Horváth, Klaudia, Böőr, Katalin, Molnár, Laura, Soós, Tibor, Lendvay, György

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.46 MB

english, 2013

48

Mechanistic insights into the H + O2 → OH + O reaction from quasi-classical trajectory studies on a new ab initio potential energy surface

György Lendvay, Daiqian Xie, Hua Guo

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 223 KB

english, 2008

49

Quasiclassical Trajectory and Transition State Theory Studies of the N( 4 S) + H 2 ↔ NH(X 3 Σ - ) + H Reaction

Pascual, Ronald Z., Schatz, George C., Lendvay, Gÿorgÿ, Troya, Diego

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 190 KB

english, 2002

50

Theoretical Study of the Reaction of H Atoms with Vibrationally Highly Excited HF Molecules †

Bene, Erika, Lendvay, György

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 313 KB

english, 2006

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