Results 141 to 150 of about 194,044 (194)
Fluorinated Pharmaceutical and Pesticide Photolysis: Investigating Reactivity and Identifying Fluorinated Products by Combining Computational Chemistry,<sup>19</sup>F NMR, and Mass Spectrometry. [PDF]
Environ Sci TechnolBhat AP, Pomerantz WCK, Arnold WA.
europepmc +1 more source
Computational Chemistry-Based Identification of Ultra-Low Temperature Water-Gas-Shift Catalysts
, 2008 Manos Mavrikakis
openalex +2 more sources
Retracted: Two Myricetin-Derived Flavonols from Morella rubra Leaves as Potent α-Glucosidase Inhibitors and Structure-Activity Relationship Study by Computational Chemistry. [PDF]
Oxid Med Cell LongevLongevity OMAC.
europepmc +1 more source
Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches. [PDF]
RSC Med ChemHazemann J +6 more
europepmc +1 more source
Nature, 1972 Computing Methods in Quantum Organic Chemistry. By H. H. Greenwood. Pp. xi + 213. (Wiley: New York and London, February 1972.) £5.50.
openaire +1 more source
Some of the next articles are maybe not open access.
Related searches:
Related searches:
Physics Today, 2008
Although exact descriptions of the quantum mechanics of molecules are computationally intractable, chemists and physicists have devised approximations that are efficient enough to be practical and accurate enough to be useful.
Martin Head-Gordon, Emilio Artacho
openaire +2 more sources
Although exact descriptions of the quantum mechanics of molecules are computationally intractable, chemists and physicists have devised approximations that are efficient enough to be practical and accurate enough to be useful.
Martin Head-Gordon, Emilio Artacho
openaire +2 more sources
Computational Organic Chemistry
ChemInform, 2003AbstractFor Abstract see ChemInform Abstract in Full Text.
openaire +1 more source