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43 Publikationen

2019 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2936904
A Quasi-Classical Evaluation of the J-Shifting Approximation for the Reactive Cross Sections of F + CHD3 and F + CH4.
Ellerbrock, Roman, A Quasi-Classical Evaluation of the J-Shifting Approximation for the Reactive Cross Sections of F + CHD3 and F + CH4.. Journal of physical chemistry A 123 (33). , 2019
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2018 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2916936
Time-Resolved Infrared Spectroscopy on Plant Cryptochrome—Relevance of Proton Transfer and ATP Binding for Signaling
Schröder, Lea, Time-Resolved Infrared Spectroscopy on Plant Cryptochrome—Relevance of Proton Transfer and ATP Binding for Signaling. The Journal of Physical Chemistry A 122 (1). , 2018
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2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2697372
Glass-Forming Properties of 3-Methylbutane-1,2,3-tricarboxylic Acid and Its Mixtures with Water and Pinonic Acid
Dette, Hans Peter, Glass-Forming Properties of 3-Methylbutane-1,2,3-tricarboxylic Acid and Its Mixtures with Water and Pinonic Acid. The Journal of Physical Chemistry A 118 (34). , 2014
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2014 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2671330
On the Stability of Perfluoroalkyl-Substituted Singlet Carbenes: A Coupled-Cluster Quantum Chemical Study
Rozhenko, Alexander B., On the Stability of Perfluoroalkyl-Substituted Singlet Carbenes: A Coupled-Cluster Quantum Chemical Study. The Journal of Physical Chemistry A 118 (8). , 2014
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2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2636062
Iterative Diagonalization in the Multiconfigurational Time-Dependent Hartree Approach: Ro-vibrational Eigenstates
Wodraszka, Robert, Iterative Diagonalization in the Multiconfigurational Time-Dependent Hartree Approach: Ro-vibrational Eigenstates. The Journal Of Physical Chemistry A 117 (32). , 2013
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2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2578580
Spectroscopic Characterization and Constitutional and Rotational Isomerism of ClC(O)SCN and ClC(O)NCS
Ramos, Luis A., Spectroscopic Characterization and Constitutional and Rotational Isomerism of ClC(O)SCN and ClC(O)NCS. The Journal Of Physical Chemistry A 117 (11). , 2013
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2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2622262
Chlorodifluoroacetyl Isothiocyanate, ClF2CC(O)NCS: Preparation and Structural and Spectroscopic Studies
Ramos, Luis A., Chlorodifluoroacetyl Isothiocyanate, ClF2CC(O)NCS: Preparation and Structural and Spectroscopic Studies. The Journal Of Physical Chemistry A 117 (27). , 2013
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2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2636066
Toward Spin-Orbit Coupled Diabatic Potential Energy Surfaces for Methyl Iodide Using Effective Relativistic Coupling by Asymptotic Representation
Wittenbrink, Nils, Toward Spin-Orbit Coupled Diabatic Potential Energy Surfaces for Methyl Iodide Using Effective Relativistic Coupling by Asymptotic Representation. The Journal Of Physical Chemistry A 117 (32). , 2013
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2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2548438
Chlorodifluoroacetyl Isocyanate, ClF2CC(O)NCO: Preparation and Structural and Spectroscopic Studies
Ramos, Luis A., Chlorodifluoroacetyl Isocyanate, ClF2CC(O)NCO: Preparation and Structural and Spectroscopic Studies. The Journal Of Physical Chemistry A 116 (47). , 2012
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2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2548457
Vibrational Dynamics of the CH4 center dot F(-)Complex
Wodraszka, Robert, Vibrational Dynamics of the CH4 center dot F(-)Complex. The Journal Of Physical Chemistry A 116 (46). , 2012
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2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2289487
Photodissociation of CH3I: A Full-Dimensional (9D) Quantum Dynamics Study
Evenhuis, Christian R., Photodissociation of CH3I: A Full-Dimensional (9D) Quantum Dynamics Study. The Journal of Physical Chemistry A 115 (23). , 2011
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2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2003413
Direct Photooxidation and Xanthene-Sensitized Oxidation of Naphthols: Quantum Yields and Mechanism
Oelgemoeller, Michael, Direct Photooxidation and Xanthene-Sensitized Oxidation of Naphthols: Quantum Yields and Mechanism. The Journal of Physical Chemistry A 115 (3). , 2011
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2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1896981
Full-Dimensional Quantum Reaction Rate Calculations for H+CH4 -> H2+CH3 on a Recent Potential Energy Surface
Schiffel, Gerd, Full-Dimensional Quantum Reaction Rate Calculations for H+CH4 -> H2+CH3 on a Recent Potential Energy Surface. JOURNAL OF PHYSICAL CHEMISTRY A 114 (36). , 2010
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2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1796250
Quantitative Laser Diagnostic and Modeling Study of C2 and CH Chemistry in Combustion
Köhler, Markus, Quantitative Laser Diagnostic and Modeling Study of C2 and CH Chemistry in Combustion. JOURNAL OF PHYSICAL CHEMISTRY A 114 (14). , 2010
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2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1796584
Kinematic Slowing and Electrostatic Guiding of KBr Molecules Formed by the Reactive Collision Process: K + HBr -> KBr + H
Liu, Ning-Ning, Kinematic Slowing and Electrostatic Guiding of KBr Molecules Formed by the Reactive Collision Process: K + HBr -> KBr + H. JOURNAL OF PHYSICAL CHEMISTRY A 114 (9). , 2010
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2009 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1591575
Atmospheric Oxidation Mechanism of Hydroxymethyl Hydroperoxide
Francisco, Joseph S., Atmospheric Oxidation Mechanism of Hydroxymethyl Hydroperoxide. JOURNAL OF PHYSICAL CHEMISTRY A 113 (26). , 2009
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2009 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1589018
Gas-Phase Enantioselectivity of Chiral N-Linked Peptidoresorc[4]arene Isomers toward Dipeptides
Botta, Bruno, Gas-Phase Enantioselectivity of Chiral N-Linked Peptidoresorc[4]arene Isomers toward Dipeptides. Journal of Physical Chemistry A 113 (52). , 2009
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2009 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1896999
Comparison of Quantum Dynamics and Quantum Transition State Theory Estimates of the H+CH4 Reaction Rate
Andersson, Stefan, Comparison of Quantum Dynamics and Quantum Transition State Theory Estimates of the H+CH4 Reaction Rate. Journal of Physical Chemistry A 113 (16). , 2009
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2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1588263
Heterogeneous ice nucleation in aqueous solutions: the role of water activity
Zobrist, B., Heterogeneous ice nucleation in aqueous solutions: the role of water activity. JOURNAL OF PHYSICAL CHEMISTRY A 112 (17). , 2008
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2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1586126
Isomer-specific influences on the composition of reaction intermediates in dimethyl ether/propene and ethanol/propene flame
Wang, Juan, Isomer-specific influences on the composition of reaction intermediates in dimethyl ether/propene and ethanol/propene flame. JOURNAL OF PHYSICAL CHEMISTRY A 112 (39). , 2008
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2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897019
Thermochemistry and accurate quantum reaction rate calculations for H-2/HD/D-2 + CH3
Nyman, Gunnar, Thermochemistry and accurate quantum reaction rate calculations for H-2/HD/D-2 + CH3. JOURNAL OF PHYSICAL CHEMISTRY A 111 (41). , 2007
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2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1594368
Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame
Hansen, Nils, Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame. JOURNAL OF PHYSICAL CHEMISTRY A 111 (19). , 2007
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2007 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1594379
Isomer-specific fuel destruction pathways in rich flames of methyl acetate and ethyl formate and consequences for the combustion chemistry of esters
Oßwald, Patrick, Isomer-specific fuel destruction pathways in rich flames of methyl acetate and ethyl formate and consequences for the combustion chemistry of esters. JOURNAL OF PHYSICAL CHEMISTRY A 111 (19). , 2007
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2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2338999
Resonance Raman spectrum of the solvated electron in methanol: Simulation within a cluster model
Neumann, S, Resonance Raman spectrum of the solvated electron in methanol: Simulation within a cluster model. JOURNAL OF PHYSICAL CHEMISTRY A 110 (17). , 2006
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2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2339005
Calculation of the vibrationally resolved electronic absorption spectrum of the propargyl radical (H2CCCH)
Eisfeld, Wolfgang, Calculation of the vibrationally resolved electronic absorption spectrum of the propargyl radical (H2CCCH). JOURNAL OF PHYSICAL CHEMISTRY A 110 (11). , 2006
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2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2338986
Experimental and theoretical study of the electronic spectrum of the methylene amidogen radical (H2CN): Verification of the (2)A(1) <- B-2(2) assignment
Teslja, A, Experimental and theoretical study of the electronic spectrum of the methylene amidogen radical (H2CN): Verification of the (2)A(1) &lt;- B-2(2) assignment. JOURNAL OF PHYSICAL CHEMISTRY A 110 (25). , 2006
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2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1599719
Identification of C5Hx isomers in fuel-rich flames by photoionization mass spectrometry and electronic structure calculations
Hansen, N., Identification of C5Hx isomers in fuel-rich flames by photoionization mass spectrometry and electronic structure calculations. JOURNAL OF PHYSICAL CHEMISTRY A 110 (13). , 2006
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2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1873084
Energy transfer in the d(3)Pi(g)-a(3)Pi(u) (0-0) swan bands of C2: Implications for quantitative measurements
Brockhinke, Andreas, Energy transfer in the d(3)Pi(g)-a(3)Pi(u) (0-0) swan bands of C2: Implications for quantitative measurements. JOURNAL OF PHYSICAL CHEMISTRY A 110 (9). , 2006
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2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1600102
Combustion chemistry of enols: Possible ethenol precursors in flames
Taatjes, C. A., Combustion chemistry of enols: Possible ethenol precursors in flames. JOURNAL OF PHYSICAL CHEMISTRY A 110 (9). , 2006
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2005 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380339
Reply to "Comment on the 'Thermodynamic dissociation constant of the bisulfate ion from Raman and ion interaction modeling studies of aqueous sulfuric acid at low temperatures'''
Knopf, D. A., Reply to "Comment on the 'Thermodynamic dissociation constant of the bisulfate ion from Raman and ion interaction modeling studies of aqueous sulfuric acid at low temperatures'''. JOURNAL OF PHYSICAL CHEMISTRY A 109 (11). , 2005
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2004 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1607825
Implementation of neural networks for the identification of single molecules
Bowen, BP, Implementation of neural networks for the identification of single molecules. JOURNAL OF PHYSICAL CHEMISTRY A 108 (21). , 2004
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2003 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1611270
Cation-pi interactions in the gas phase methylation of alpha,omega-diphenylalkanes
Chiavarino, B., Cation-pi interactions in the gas phase methylation of alpha,omega-diphenylalkanes. JOURNAL OF PHYSICAL CHEMISTRY A 107 (23). , 2003
PUB | DOI | WoS
 
2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380585
Heterogeneous freezing of aqueous particles induced by crystallized (NH4)(2)SO4, ice, and letovicite
Zuberi, B., Heterogeneous freezing of aqueous particles induced by crystallized (NH4)(2)SO4, ice, and letovicite. JOURNAL OF PHYSICAL CHEMISTRY A 105 (26). , 2001
PUB | DOI | WoS
 
2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1615713
Electronic structure of the 2.4-diphosphacyclobutane-diyl-1.3 and substituted derivatives
Schoeller, Wolfgang, Electronic structure of the 2.4-diphosphacyclobutane-diyl-1.3 and substituted derivatives. JOURNAL OF PHYSICAL CHEMISTRY A 105 (47). , 2001
PUB | DOI | WoS
 
2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897153
Quantum dynamics of the CH4+H -> CH3+H2 reaction: Full-dimensional and reduced dimensionality rate constant calculations
Huarte-Larranaga, F, Quantum dynamics of the CH4+H -> CH3+H2 reaction: Full-dimensional and reduced dimensionality rate constant calculations. JOURNAL OF PHYSICAL CHEMISTRY A 105 (12). , 2001
PUB | DOI | WoS
 
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380242
Ice formation in (NH4)(2)SO4-H2O particles
Bertram, A. K., Ice formation in (NH4)(2)SO4-H2O particles. JOURNAL OF PHYSICAL CHEMISTRY A 104 (3). , 2000
PUB | DOI | WoS
 
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1619211
Reactivity and structure of hydrogenated carbon cluster ions CnHx+ (n = 18, 20, 24; x = 4-12) derived from polycyclic aromatic hydrocarbons by splitting off H center dot atoms: Reactions with dimethyl disulfide
Guo, Xinghua, Reactivity and structure of hydrogenated carbon cluster ions CnHx+ (n = 18, 20, 24; x = 4-12) derived from polycyclic aromatic hydrocarbons by splitting off H center dot atoms: Reactions with dimethyl disulfide. JOURNAL OF PHYSICAL CHEMISTRY A 104 (33). , 2000
PUB | DOI | WoS
 
1999 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380271
Phase transitions in emulsified HNO3/H2O and HNO3/H2SO4/H2O solutions
Chang, H. Y. A., Phase transitions in emulsified HNO3/H2O and HNO3/H2SO4/H2O solutions. JOURNAL OF PHYSICAL CHEMISTRY A 103 (15). , 1999
PUB | DOI | WoS
 
1999 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380358
Phase transitions in aqueous NH4HSO4 solutions
Koop, Thomas, Phase transitions in aqueous NH4HSO4 solutions. JOURNAL OF PHYSICAL CHEMISTRY A 103 (45). , 1999
PUB | DOI | WoS
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380407
A new optical technique to study aerosol phase transitions: The nucleation of ice from H2SO4 aerosols
Koop, Thomas, A new optical technique to study aerosol phase transitions: The nucleation of ice from H2SO4 aerosols. JOURNAL OF PHYSICAL CHEMISTRY A 102 (45). , 1998
PUB | DOI | WoS
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2402462
Intramolecular energy transfer in fullerene pyrazine dyads
Guldi, DM, Intramolecular energy transfer in fullerene pyrazine dyads. The Journal of Physical Chemistry A 102 (48). , 1998
PUB | DOI | WoS
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1626083
Isomeric C-24(center dot+) carbon cluster ions derived from perchlorocoronene. Reactions of carbon-cluster ions with pyridine
Sun, Jing, Isomeric C-24(center dot+) carbon cluster ions derived from perchlorocoronene. Reactions of carbon-cluster ions with pyridine. JOURNAL OF PHYSICAL CHEMISTRY A 102 (14). , 1998
PUB | DOI | WoS
 
1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2380392
Freezing of HNO3/H2SO4/H2O solutions at stratospheric temperatures: Nucleation statistics and experiments
Koop, Thomas, Freezing of HNO3/H2SO4/H2O solutions at stratospheric temperatures: Nucleation statistics and experiments. JOURNAL OF PHYSICAL CHEMISTRY A 101 (6). , 1997
PUB | DOI | WoS
 

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