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Chirality, ISSN 0899-0042, 1989
Journal
1965, Organic chemistry, Volume a series of monographs, v. 3, ix, 382 p. illus.
Book
Angewandte Chemie International Edition, ISSN 1433-7851, 06/2017, Volume 56, Issue 27, pp. 7867 - 7870
Hyperconjugative, steric, and electrostatic effects were evaluated as possible sources of the helicity in linear perfluorinated alkanes through analysis of... 
density-functional calculations | fluorocarbons | conformational analysis | hyperconjugation | helical structures | AB-INITIO | CONFORMATIONAL-ANALYSIS | BOND | CHEMISTRY, MULTIDISCIPLINARY | Analysis | Conformational analysis | Fluorocarbons | Alkanes | N-Alkanes | Electrostatic properties | Electrostatics | Helicity
Journal Article
Journal of organic chemistry, ISSN 0022-3263, 09/2018, Volume 83, Issue 17, pp. 10326 - 10333
This study reports DFT geometry optimization of the anancomeric (ring conformationally anchored) axial r2-methoxy-trans-4,trans-6-dimethyl- and... 
HYPERCONJUGATION | EXISTENCE | CHEMISTRY, ORGANIC | CONFORMATIONAL-ANALYSIS | COUPLING-CONSTANTS
Journal Article
Chemistry : a European journal, ISSN 0947-6539, 2018, Volume 24, Issue 51, pp. 13380 - 13380
The hydrogen‐bonding networks of the naturally occurring polyol d‐ribitol have been revealed in a supersonic expansion by laser ablation and broadband Fourier... 
laser ablation | ab initio calculations | conformational analysis | flavins | microwave spectroscopy
Journal Article
Angewandte Chemie (International ed.), ISSN 1433-7851, 2013, Volume 52, Issue 1, pp. 463 - 466
Mother of all folding: Cold isolated linear alkanes CnH2n+2 prefer an extended all‐trans conformation before cohesive forces between the chain ends induce a... 
conformational analysis | molecular folding | dispersion | Raman spectroscopy | chain molecules | Chain molecules | Molecular folding | Dispersion | Conformational analysis | ENTHALPY DIFFERENCE | BASIS-SETS | CHEMISTRY, MULTIDISCIPLINARY | MOLECULES | Analysis | Molecular conformation | Quantum chemistry | Mathematical analysis | Chains | Alkanes | Atomic structure | Carbon | Folding
Journal Article
Journal of chemical information and modeling, ISSN 1549-9596, 04/2010, Volume 50, Issue 4, pp. 572 - 584
Here, we present the algorithm and validation for OMEGA, a systematic, knowledge-based conformer generator. The algorithm consists of three phases: assembly of... 
Computational Chemistry | CHEMISTRY, MEDICINAL | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | SEARCH | PERFORMANCE | COMPUTER SCIENCE, INFORMATION SYSTEMS | CONFORMATIONAL-ANALYSIS | CATALYST | CHEMISTRY, MULTIDISCIPLINARY | MOLECULES | ACCURACY | Small Molecule Libraries - chemistry | Ligands | Algorithms | Rotation | Databases, Protein | Molecular Conformation
Journal Article
Organic & biomolecular chemistry, ISSN 1477-0539, 2016, Volume 14, Issue 36, pp. 8398 - 8427
Late stage fluorination methods applied to biologically-active drugs have provided the pharmaceutical industry with new leads that show improved properties... 
MEDICINAL CHEMISTRY | REMOVABLE DIRECTING GROUPS | COPPER-MEDIATED FLUORINATION | ELECTROPHILIC FLUORINATION | C-H FLUORINATION | ENANTIOSELECTIVE FLUORINATION | REGIOSELECTIVE FLUORINATION | CHEMISTRY, ORGANIC | CONFORMATIONAL-ANALYSIS | LATE-STAGE FLUORINATION | METAL-FREE
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 08/2016, Volume 138, Issue 33, pp. 10611 - 10622
The epidermal growth factor receptor (EGFR) is a dimeric membrane protein that regulates key aspects of cellular function. Activation of the EGFR is linked to... 
Protein Domains | Thermodynamics | Cell Membrane - metabolism | ErbB Receptors - chemistry | Protein Multimerization | Molecular Dynamics Simulation | Molecular simulation | Usage | Research | Conformational analysis | Membrane proteins
Journal Article
Chemical science (Cambridge), ISSN 2041-6520, 2012, Volume 3, Issue 5, pp. 1381 - 1394
Hydrogen bonds with organic fluorine are discussed on the background of an ongoing controversy, with an overview on the different methods of investigation, and... 
FLUOROBENZENE | DOT-F INTERACTIONS | CRYSTAL-STRUCTURE | MOLECULAR RECOGNITION | PROTON-ACCEPTOR | X-RAY-DIFFRACTION | PACKING | ORGANIC FLUORINE | CONFORMATIONAL-ANALYSIS | CHEMISTRY, MULTIDISCIPLINARY | INTERMOLECULAR INTERACTIONS
Journal Article
Organic & biomolecular chemistry, ISSN 1477-0520, 4/2013, Volume 11, Issue 17, pp. 2885 - 289
The anomeric effect has been assigned as being due to hyperconjugation, electrostatic/steric interactions or exchange effects; thus, there is no general... 
COMPLETE BASIS-SET | TETRAHYDROPYRANS | GLUCOSE | AB-INITIO | GAS-PHASE | CHEMISTRY, ORGANIC | SYSTEMS | CONFORMATIONAL-ANALYSIS
Journal Article
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