Results 241 to 250 of about 162,540 (300)

Unravelling the structure of monocyclic carbon ring cations using vibrational spectroscopy.

Phys Chem Chem Phys
Douglas-Walker TE, Debnath A, O'Neill O, Campbell EK.   +3 more
europepmc   +1 more source

A computational study of organic molecular crystals for photocatalytic water splitting.

Faraday Discuss
Green JD, Wang H, Cooper AI, Medranda DG, Nelson J, Jelfs KE.   +5 more
europepmc   +1 more source

Speciation and hydration forces in sodium carbonate/bicarbonate aqueous solutions nanoconfined between mica sheets.

Faraday Discuss
Turculet D, Miao S, Agg KJ, Perkin S.
europepmc   +1 more source

Exploring the photophysics of dibenzo[<i>g</i>,<i>p</i>]chrysene and tetraphenylethene in solution by static and dynamical quantum mechanical calculations.

Phys Chem Chem Phys
Aarabi M, Ingham M, Giannini S, Mukamel S, Garavelli M, Crespo-Otero R, Santoro F, Improta R.   +7 more
europepmc   +1 more source

A Venue for Advances in Experimental and Theoretical Methods in Physical Chemistry [PDF]

Journal of Physical Chemistry A, 2022
Andrew Orr-Ewing, Martin T. Zanni, Thomas Daniel Crawford   +2 more
exaly   +3 more sources

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The Physical and Theoretical Chemistry of Oxygen

1968
Oxygen, which is the subject of this symposium is probably created during the helium-burning phase of stars. The nuclear reactions involved in the production of the three stable isotopes of oxygen are shown in Fig. 1. The stepwise reactions in which O16, O17 and finally O18 are produced probably occur at temperatures of the order of 108 degrees Kelvin ...
David Samuel, J. Stauff, James A. Fee, Bo G. Malmström, Tore Vänngård   +4 more
openaire   +1 more source

Two on physical and theoretical chemistry

Nature, 1980
Statistical Thermodynamics of Simple Liquids and their Mixtures. By T. Boublik, I. Nezbeda and K. Hlavaty. Pp.145. Published by (Elsevier: Amsterdam and New York, 1980.) $41.50, Dfl.85. Weak Inter-molecular Interactions in Chemistry and Biology. By P. Hobza and R. Zahradnik. Pp.346. (Elsevier: Amsterdam and New York, 1980.) $48.75, Dfl.100.
openaire   +1 more source

Theoretical studies in the chemistry and physics of heterocycles

Theoretica Chimica Acta, 1966
LCAO-SCF calculations with four different sets of parameters are given for the π-electron structure of pyrrole. The aim was mainly to discuss whether such a kind of calculations could account for the molecular properties, or the σ system ought to be explicitly included. The effects of different values for the integrals were discussed by comparing final
Paolo Chiorboli, Augusto Rastelli, Fabio Momicchioli   +2 more
openaire   +1 more source