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Volume 124; Issue 16
Main
Journal of Physical Chemistry A
Volume 124; Issue 16
Journal of Physical Chemistry A
Volume 124; Issue 16
1
Chemical Shift Tensors of Cimetidine Form A Modeled with Density Functional Theory Calculations: Implications for NMR Crystallography
Holmes, Sean T.
,
Engl, Olivia G.
,
Srnec, Matthew N.
,
Madura, Jeffry D.
,
Quiñones, Rosalynn
,
Harper, James K.
,
Schurko, Robert W.
,
Iuliucci, Robbie J.
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 839 KB
Your tags:
2020
2
Branching Ratios, Radiative Lifetimes, and Transition Dipole Moments for YbOH
Mengesha, Ephriem Tadesse
,
Le, Anh T.
,
Steimle, Timothy C.
,
Cheng, Lan
,
Zhang, Chaoqun
,
Augenbraun, Benjamin L.
,
Lasner, Zack
,
Doyle, John
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 1.95 MB
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2020
3
Ion Pair Structures and Hydrogen Bonding in R n NH 4â n Alkylammonium Ionic Liquids with Hydrogen Sulfate and Mesylate Anions by DFT Computations
Fedorova, Irina V.
,
Safonova, Lyubov P.
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 1.87 MB
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2020
4
Anharmonic Frequencies of (MO) 2 and Related Hydrides for M = Mg, Al, Si, P, S, Ca, and Ti and Heuristics for Predicting Anharmonic Corrections of Inorganic Oxides
Westbrook, Brent R.
,
Fortenberry, Ryan C.
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 1.32 MB
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2020
5
Proton Transfer vs Complex Formation Channels in Ionized Formic Acid Dimer: A Direct Ab Initio Molecular Dynamics Study
Tachikawa, Hiroto
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 1.25 MB
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2020
6
Induced Fit of Crown Cavity to Ammonium Ion Guests and Photoinduced Intracavity Reactions: Cold Gas-Phase Spectroscopy of Dibenzo-18-Crown-6 Complexes with NH 4+ , CH 3 NH 3+ , and CH 3 CH 2 NH 3+
Kubo, Mayuko
,
Kida, Motoki
,
Muramatsu, Satoru
,
Inokuchi, Yoshiya
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 6.26 MB
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2020
7
Threshold Collision-Induced Dissociation of Hydrated Thorium(IV) Trihydroxide Cation: Experimental and Theoretical Investigation of the Binding Energies for Th(OH) 3+ (H 2 O) n Complexes ( n = 1â4)
Kafle, Arjun
,
Nwokolo, Chinye
,
Sanchez, Lauren
,
Armentrout, P. B.
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 571 KB
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2020
8
Comment on âCorrect Symmetry Treatment for X + X Reactions Prevents Large Errors in Predicted Isotope Enrichmentâ
Pollak, Eli
,
Pechukas, Philip
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 471 KB
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2020
9
Nonmonotonous Lattice Distortion Model for Gas Hydrates
Thakre, Niraj
,
Jana, Amiya K.
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 1.06 MB
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2020
10
Evolution of Radicals from the Photolysis of High Ionic Strength Alkaline Nitrite Solutions
Walter, Eric D.
,
Schwarz, Kaitlynn C.
,
Kumar, Shweta Anil
,
Chen, Ying
,
Sassi, Michel
,
Wang, Zheming
,
Rosso, Kevin M.
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 1.43 MB
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2020
11
Photochemistry of Amylene Double Bond in Clusters on Free Argon Nanoparticles
Pysanenko, Andriy
,
Gámez, Francisco
,
FárnÃk, Michal
,
Chalabala, Jan
,
SlavÃÄek, Petr
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 2.80 MB
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2020
12
Bent Allenes or Di-1,3-betainesâAn Answer Given on the Magnetic Criterion
Kleinpeter, Erich
,
Koch, Andreas
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 4.80 MB
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2020
13
Velocity-Map Imaging and Magnetic-Bottle Photoelectron Spectroscopy of [SeCCH] â : Electronic Properties and SpinâOrbit Splitting
Yuan, Qinqin
,
Cao, Wenjin
,
Hetzert, Marc
,
Ruschewitz, Uwe
,
Wang, Xue-Bin
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 1.67 MB
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2020
14
Adsorption of Organic Acids and Phosphate to an Iron (Oxyhydr)oxide Mineral: A Combined Experimental and Density Functional Theory Study
Ohno, Tsutomu
,
Kubicki, James D.
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 2.19 MB
Your tags:
2020
15
Inter- and Intramolecular Vibrational Energy Flow in a FormamideâWater Complex
Shin, H. K.
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 1.81 MB
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2020
16
Bend-to-Break: Curvilinear Proton Transfer in Phenol-Ammonia Clusters
Sadhukhan, Debopriya
,
Hazra, Anirban
,
Patwari, G. Naresh
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 5.82 MB
Your tags:
2020
17
Hyperfine Structure Constants on the Relativistic Coupled Cluster Level with Associated Uncertainties
Haase, Pi A. B.
,
Eliav, Ephraim
,
Iliaš, Miroslav
,
Borschevsky, Anastasia
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 1018 KB
Your tags:
2020
18
Issue Editorial Masthead
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 138 KB
Your tags:
2020
19
Issue Publication Information
Journal:
Journal of Physical Chemistry A
Year:
2020
File:
PDF, 165 KB
Your tags:
2020
1
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