Infrared Matrix Isolation and Theoretical Studies on Glutarimide

JOURNAL ARTICLE published 1 October 1997 in The Journal of Physical Chemistry A

Authors: D. C. Bieńko | D. Michalska | S. Roszak | W. Wojciechowski | M. J. Nowak | L. Lapinski

Inter- and Intramolecular Interactions in Crystalline 2-Nitrobenzoic Acid—An Experimental and Theoretical QTAIM Analysis

JOURNAL ARTICLE published 31 December 2015 in The Journal of Physical Chemistry A

Research funded by Division of Chemistry (CHE-1213329)

Authors: Vladimir V. Zhurov | A. Alan Pinkerton

Analytical Potential Energy Surface and Kinetics of the NH₃ + H → NH₂ + H₂ Hydrogen Abstraction and the Ammonia Inversion Reactions

JOURNAL ARTICLE published 1 April 2010 in The Journal of Physical Chemistry A

Authors: J. Espinosa-Garcia | J. C. Corchado

Electronic Structure and Optical Properties of Boron Difluoride Dibenzoylmethane Derivatives

JOURNAL ARTICLE published 22 September 2016 in The Journal of Physical Chemistry A

Authors: Sergey A. Tikhonov | Vitaliy I. Vovna | Natalia A. Gelfand | Ivan S. Osmushko | Elena V. Fedorenko | Anatoliy G. Mirochnik

Effect of Laser Parameters on Ultrafast Hydrogen Migration in Methanol Studied by Coincidence Momentum Imaging

JOURNAL ARTICLE published 22 March 2012 in The Journal of Physical Chemistry A

Authors: Huailiang Xu | Tomoya Okino | Tatsuya Kudou | Kaoru Yamanouchi | Stefan Roither | Markus Kitzler | Andrius Baltuska | See-Leang Chin

Isotope and Phase Effects on the Proton Tautomerism in Polycrystalline Porphycene Revealed by NMR

JOURNAL ARTICLE published 12 March 2009 in The Journal of Physical Chemistry A

Authors: Juan Miguel Lopez del Amo | Uwe Langer | Verónica Torres | Mariusz Pietrzak | Gerd Buntkowsky | Hans-Martin Vieth | Mohamed F. Shibl | Oliver Kühn | Martin Bröring | Hans-Heinrich Limbach

Nonlocal (Pair Site) Reactivity from Second-Order Static Density Response Function:  Gas- and Solution-Phase Reactivity of the Acetaldehyde Enolate as a Test Case

JOURNAL ARTICLE published 1 March 1999 in The Journal of Physical Chemistry A

Authors: Renato Contreras | Luis R. Domingo | Juan Andrés | Patricia Pérez | Orlando Tapia

Photoinduced Intramolecular Charge Transfer in a Series of Differently Twisted Donor−Acceptor Biphenyls As Revealed by Fluorescence

JOURNAL ARTICLE published 1 May 1999 in The Journal of Physical Chemistry A

Authors: Michael Maus | Wolfgang Rettig | Dominique Bonafoux | René Lapouyade

Altering the Emission Behavior with the Turn of a Thiophene Ring:  The Photophysics of Condensed Ring Systems of Alternating Benzenes and Thiophenes

JOURNAL ARTICLE published 1 December 2006 in The Journal of Physical Chemistry A

Authors: Brigitte Wex | Bilal R. Kaafarani | Evgeny O. Danilov | Douglas C. Neckers

Electron Diffraction Analysis for the Molecules with Multiple Large-Amplitude Motions. 3-Nitrostyrene—A Molecule with Two Internal Rotors

JOURNAL ARTICLE published 5 March 2015 in The Journal of Physical Chemistry A

Research funded by Russian Foundation for Basic Research (08-03-01104a)

Authors: Dmitry M. Kovtun | Igor V. Kochikov | Yury I. Tarasov

Uncovering the Terahertz Spectrum of Copper Sulfate Pentahydrate

JOURNAL ARTICLE published 21 January 2016 in The Journal of Physical Chemistry A

Research funded by Division of Chemistry (CHE-1301068)

Authors: Michael T. Ruggiero | Timothy M. Korter

Vibrational Spectra of α-Glucose, β-Glucose, and Sucrose: Anharmonic Calculations and Experiment

JOURNAL ARTICLE published 16 June 2011 in The Journal of Physical Chemistry A

Authors: Brina Brauer | Madeleine Pincu | Victoria Buch | Ilana Bar | John. P. Simons | R. Benny Gerber

Structure, Conformational Equilibrium, and Proton Affinity of Calix[4]arene by Density Functional Theory

JOURNAL ARTICLE published 1 November 1999 in The Journal of Physical Chemistry A

Authors: R. J. Bernardino | B. J. Costa Cabral

Conformational Effect on the Large Amplitude Motions of 3,4-Dimethylanisole Explored by Microwave Spectroscopy

JOURNAL ARTICLE published 25 April 2019 in The Journal of Physical Chemistry A

Authors: Lynn Ferres | Jenny Cheung | Wolfgang Stahl | Ha Vinh Lam Nguyen

New High Pressure Phases of Energetic Material TEX: Evidence from Raman Spectroscopy, X-ray Diffraction, and First-Principles Calculations

JOURNAL ARTICLE published 2 August 2018 in The Journal of Physical Chemistry A

Authors: Rajitha Rajan | T. R. Ravindran | V. Venkatesan | V. Srihari | K. K. Pandey | Sharat Chandra | Karuna Kara Mishra | Anuj A. Vargeese

Intramolecular Hydrogen Bonding and Cooperative Interactions in Carbohydrates via the Molecular Tailoring Approach

JOURNAL ARTICLE published 1 January 2008 in The Journal of Physical Chemistry A

Authors: Milind M. Deshmukh | Libero J. Bartolotti | Shridhar R. Gadre

Sandwich and Mixed Sandwich Complexes of the Cesium Ion with Crown Ethers in Nitromethane

JOURNAL ARTICLE published 1 July 1999 in The Journal of Physical Chemistry A

Authors: Jineun Kim | Mojtaba Shamsipur | Song Z. Huang | Rui H. Huang | James L. Dye

Probing the Electronic Structures and Properties of Neutral and Charged Monomethylated Arsenic Species (CH₃As_n^(−1,0,+1), n = 1–7) Using Gaussian-3 Theory

JOURNAL ARTICLE published 20 September 2012 in The Journal of Physical Chemistry A

Authors: Xue Bai | Qiancheng Zhang | Jucai Yang | Hongmei Ning

A Theoretical Investigation of the Decomposition Mechanism of Pyridyl Radicals

JOURNAL ARTICLE published 1 September 2000 in The Journal of Physical Chemistry A

Authors: Ruifeng Liu | Thomas T.-S. Huang | James Tittle | Daohong Xia

Fundamental Properties and Nature of CH··O Interactions in Crystals on the Basis of Experimental and Theoretical Charge Densities. The Case of 3,4-Bis(dimethylamino)-3-cyclobutene-1,2-dione (DMACB) Crystal

JOURNAL ARTICLE published 1 March 2002 in The Journal of Physical Chemistry A

Authors: Carlo Gatti | Emanuela May | Riccardo Destro | Fausto Cargnoni