المؤلفون: Marcel Ruth, Cedrik Meier

المصدر: AIP Advances, Vol 3, Iss 7, Pp 072114-072114 (2013)

مصطلحات موضوعية: Physics, QC1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2158-3226

URL الوصول: https://doaj.org/article/6d55eec8419d43b6af7fb7acde28cd2c

المؤلفون: Bastian Bernhardt (4976669), Marcel Ruth (10263442), Hans Peter Reisenauer (1578589), Peter R. Schreiner (770003)

مصطلحات موضوعية: Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, irradiation, HNCO, 254 nm, aminohydroxymethylene, B 3LYP computations, photoreactivity, matrix, CCSD, Simplest Aminooxycarbene, carbonyl, carbene 1, oxalic acid monoamide, CO, imine, hydroxycarbene, H 2, Astrochemically, data, NH 3, aminomethylene, shift, Ar, pyrolysi, aminohydroxycarbene, cryogenic conditions

Relation: https://figshare.com/articles/journal_contribution/Aminohydroxymethylene_H_sub_2_sub_N_C_OH_the_Simplest_Aminooxycarbene/15142133

الاتاحة: https://doi.org/10.1021/acs.jpca.1c06151.s001

المؤلفون: Ephrath Solel (1991056), Marcel Ruth (10263442), Peter R. Schreiner (770003)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Science Policy, Mental Health, Biological Sciences not elsewhere classified, raw group polarizabilities, experimentally relevant settings, dispersion energy donors, attractive london dispersion, two competing interactions, negligible ld part, complementary steric scale, steric hindrance, steric factor, steric effects, steric demands, thereby providing, quantitatively comparable, monosubstituted cyclohexanes, minimize strain, ld interactions, electrostatic interactions, distances found, direct comparisons, ded scale, considered purely, computational study, common assumption, charge transfer

Relation: https://figshare.com/articles/journal_contribution/London_Dispersion_Helps_Refine_Steric_A_Values_Dispersion_Energy_Donor_Scales/17100439

الاتاحة: https://doi.org/10.1021/jacs.1c09222.s001

المؤلفون: Ephrath Solel (1991056), Marcel Ruth (10263442), Peter R. Schreiner (770003)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Molecular Biology, Neuroscience, Evolutionary Biology, Developmental Biology, Science Policy, Chemical Sciences not elsewhere classified, LD interactions, trend, Halogen, steric, reaction design, dispersion energy donors, London

Relation: https://figshare.com/articles/journal_contribution/London_Dispersion_Helps_Refine_Steric_A_Values_The_Halogens/14597184

الاتاحة: https://doi.org/10.1021/acs.joc.1c00767.s001

المؤلفون: Peter R. Schreiner, Ephrath Solel, Marcel Ruth

المصدر: Journal of the American Chemical Society. 143:20837-20848

مصطلحات موضوعية: Steric effects, Scale (ratio), Chemistry, General Chemistry, Biochemistry, London dispersion force, Catalysis, symbols.namesake, Colloid and Surface Chemistry, Pauli exclusion principle, Chemical physics, Steric factor, Dispersion (optics), symbols, A value, Conformational isomerism

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1b073123a8237fec1bb54ffd54f3dba9
https://doi.org/10.1021/jacs.1c09222

المؤلفون: Marcel Ruth, Peter R. Schreiner, Bastian Bernhardt, Hans Peter Reisenauer

المصدر: The Journal of Physical Chemistry A. 125:7023-7028

مصطلحات موضوعية: Matrix (chemical analysis), chemistry.chemical_compound, chemistry, Imine, Oxalic acid, Physical chemistry, Irradiation, Physical and Theoretical Chemistry, Carbene, Pyrolysis

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::390484df2ddb2f83c96cc656659e3fc5
https://doi.org/10.1021/acs.jpca.1c06151

المؤلفون: André K. Eckhardt, Marcel Ruth, Peter R. Schreiner, Bastian Bernhardt

المصدر: Journal of the American Chemical Society. 143:3741-3746

مصطلحات موضوعية: Argon, chemistry.chemical_element, General Chemistry, Ethyl ester, 010402 general chemistry, Photochemistry, 01 natural sciences, Biochemistry, Propynal, Catalysis, 0104 chemical sciences, chemistry.chemical_compound, Colloid and Surface Chemistry, chemistry, Potential energy surface, Irradiation, Pyrolysis

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f5092418cf982d4733e26302e2793fb8
https://doi.org/10.1021/jacs.1c00897

المؤلفون: Marcel Ruth, Dennis Gerbig, Peter Richard Schreiner

المصدر: Journal of chemical theory and computation. 18(8)

مصطلحات موضوعية: Machine Learning, Thermodynamics, Physical and Theoretical Chemistry, Computer Science Applications

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0299878c61440d317548efdd955695e4
https://pubmed.ncbi.nlm.nih.gov/35816588

المؤلفون: Bastian, Bernhardt, Marcel, Ruth, Hans Peter, Reisenauer, Peter R, Schreiner

المصدر: The journal of physical chemistry. A. 125(32)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::ff0d1ecbb0cca66918544833abcfdbb7
https://pubmed.ncbi.nlm.nih.gov/34374543

المؤلفون: Ephrath Solel, Marcel Ruth, Peter R. Schreiner

المصدر: The Journal of organic chemistry. 86(11)

مصطلحات موضوعية: Steric effects, 010405 organic chemistry, Chemistry, Organic Chemistry, Hard spheres, 010402 general chemistry, 01 natural sciences, London dispersion force, 0104 chemical sciences, Halogens, Computational chemistry, Halogen, Potential energy surface, London, A value, Dispersion (chemistry), Conformational isomerism

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::088794311e25568293aa1e1d7318c30c
https://pubmed.ncbi.nlm.nih.gov/33988377

المؤلفون: Bastian Bernhardt (4976669), Marcel Ruth (10263442), André K. Eckhardt (5558144), Peter R. Schreiner (770003)

مصطلحات موضوعية: Biochemistry, Medicine, Genetics, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, irradiation, Ethynylhydroxycarbene, 436 nm trans, computation, species, high-vacuum flash pyrolysis, CCSD, ethynylglyoxylic acid ethyl ester, B 3LYP levels, uncharacterized isomer ethynylhydro., conformer-specific, matrix, role, 20 K, argon matrices, formation, H-tunneling, half-life, conformer, energy surface, C 3 H 2 O, propynal, 70 h

Relation: https://figshare.com/articles/journal_contribution/Ethynylhydroxycarbene_H_C_C_C_OH_/14173423

الاتاحة: https://doi.org/10.1021/jacs.1c00897.s001