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Theoretical Prediction of pKa Values for Methacrylic Acid Oligomers Using Combined Quantum Mechanical and Continuum Solvation Methods JOURNAL ARTICLE published 11 December 2008 in The Journal of Physical Chemistry A |
Conformation of the Dipeptide Cyclo( JOURNAL ARTICLE published 1 August 2002 in The Journal of Physical Chemistry A |
1-Methyl-2-Pyrrolidone: From Exfoliating Solvent to a Paramagnetic Ligand JOURNAL ARTICLE published 21 March 2013 in The Journal of Physical Chemistry A |
Low Temperature Chlorine-Initiated Oxidation of Small-Chain Methyl Esters: Quantification of Chain-Terminating HO2-Elimination Channels JOURNAL ARTICLE published 17 March 2016 in The Journal of Physical Chemistry A Research funded by Basic Energy Sciences (DE-AC02- 05CH11231) | Laboratory Directed Research and Development (DEAC04-94AL85000) |
Theoretical Investigation of In-Plane Hydrogen-Bonded Complexes of Ammonia with Partially Substituted Fluorobenzenes JOURNAL ARTICLE published 1 April 2007 in The Journal of Physical Chemistry A |
High-Resolution Infrared Absorption Spectroscopy of C60 Molecules and Clusters in Parahydrogen Solids JOURNAL ARTICLE published 1 April 2000 in The Journal of Physical Chemistry A |
Electrostatic Potential Fitting Method Using Constrained Spatial Electron Density Expanded with Preorthogonal Natural Atomic Orbitals JOURNAL ARTICLE published 19 November 2020 in The Journal of Physical Chemistry A Research funded by Ministry of Education, Culture, Sports, Science and Technology (16H06353,19K05367) |
Ab Initio and Electron Propagator Theory Study of Boron Hydrides JOURNAL ARTICLE published 1 June 2005 in The Journal of Physical Chemistry A |
A Definitive Heat of Vaporization of Silicon through Benchmark ab Initio Calculations on SiF4 JOURNAL ARTICLE published 1 June 1999 in The Journal of Physical Chemistry A |
Quantitative Insights into a Plasmonic Ruler Equation from the Perspective of Enhanced Near Field JOURNAL ARTICLE published 12 January 2023 in The Journal of Physical Chemistry A Research funded by National Natural Science Foundation of China (21873004) | Natural Science Foundation of Anhui Province (2108085MA23) |
Speed-Dependent Alignment and Angular Distributions of O(1D2)from the Ultraviolet Photodissociation of N2O JOURNAL ARTICLE published 1 December 1999 in The Journal of Physical Chemistry A |
Translational Activation of the SN2 Nucleophilic Displacement Reactions Cl- + CH3Cl (CD3Cl) → ClCH3 (ClCD3) + Cl-: A Guided Ion Beam Study JOURNAL ARTICLE published 1 August 1997 in The Journal of Physical Chemistry A |
Photofragment Translational Spectroscopy of 1-Bromo-3-fluorobenzene and 1-Bromo-4-fluorobenzene at 266 nm JOURNAL ARTICLE published 1 January 2001 in The Journal of Physical Chemistry A |
High Level ab Initio Calculations of Intermolecular Interaction of Propane Dimer: Orientation Dependence of Interaction Energy JOURNAL ARTICLE published 1 April 2002 in The Journal of Physical Chemistry A |
Density Functional Studies of the bπ.aσ Charge-Transfer Complex Formed between Ethyne and Chlorine Monofluoride JOURNAL ARTICLE published 1 April 1997 in The Journal of Physical Chemistry A |
Ionization Energy of Methylene Revisited: Improved Values for the Enthalpy of Formation of CH2 and the Bond Dissociation Energy of CH3 via Simultaneous Solution of the Local Thermochemical Network JOURNAL ARTICLE published 1 October 1999 in The Journal of Physical Chemistry A |
Activation of Reactions in the Complex Region Using Microwave Irradiation JOURNAL ARTICLE published 27 September 2018 in The Journal of Physical Chemistry A Research funded by National Natural Science Foundation of China (21303110,21673040,91441107) |
Geometry Optimization with an Infinite Basis Set JOURNAL ARTICLE published 1 February 1999 in The Journal of Physical Chemistry A |
H2 Elimination Products from Neutral Zr + Alkene Reactions in the Gas Phase JOURNAL ARTICLE published 1 October 1998 in The Journal of Physical Chemistry A |
Electron Momentum Spectroscopy Study of Lone Pair Orbitals of Thiols and Dimethyl Sulfide JOURNAL ARTICLE published 1 January 1997 in The Journal of Physical Chemistry A |