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1دورية أكاديميةCHAL336 Benchmark Set: How Well Do Quantum-Chemical Methods Describe Chalcogen-Bonding Interactions?
المؤلفون: Nisha Mehta (7953788), Thomas Fellowes (10682073), Jonathan M. White (1366602), Lars Goerigk (1366260)
مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Neuroscience, Mental Health, Virology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, density-driven errors, SOS 0-PBE revDSD-PBEP 86-D, dispersion-corrected DFT methods, ω B 97M PW 6B, MP 2 approach, CHAL 336 benchmark, CB interactions, DFT benchmark study, π- hole interactions, 3LYP, Quantum-Chemical Methods Describe C., London dispersion corrections, dispersion-uncorrected DFT methods, 2NCPLYP, chalcogen
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2CHAL336 Benchmark Set: How Well Do Quantum-Chemical Methods Describe Chalcogen-Bonding Interactions?
المؤلفون: Nisha Mehta (7953788), Thomas Fellowes (10682073), Jonathan M. White (1366602), Lars Goerigk (1366260)
مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Neuroscience, Mental Health, Virology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, density-driven errors, SOS 0-PBE revDSD-PBEP 86-D, dispersion-corrected DFT methods, ω B 97M PW 6B, MP 2 approach, CHAL 336 benchmark, CB interactions, DFT benchmark study, π- hole interactions, 3LYP, Quantum-Chemical Methods Describe C., London dispersion corrections, dispersion-uncorrected DFT methods, 2NCPLYP, chalcogen
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3CHAL336 Benchmark Set: How Well Do Quantum-Chemical Methods Describe Chalcogen-Bonding Interactions?
المؤلفون: Nisha Mehta (7953788), Thomas Fellowes (10682073), Jonathan M. White (1366602), Lars Goerigk (1366260)
مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Neuroscience, Mental Health, Virology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, density-driven errors, SOS 0-PBE revDSD-PBEP 86-D, dispersion-corrected DFT methods, ω B 97M PW 6B, MP 2 approach, CHAL 336 benchmark, CB interactions, DFT benchmark study, π- hole interactions, 3LYP, Quantum-Chemical Methods Describe C., London dispersion corrections, dispersion-uncorrected DFT methods, 2NCPLYP, chalcogen
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4CHAL336 Benchmark Set: How Well Do Quantum-Chemical Methods Describe Chalcogen-Bonding Interactions?
المؤلفون: Nisha Mehta (7953788), Thomas Fellowes (10682073), Jonathan M. White (1366602), Lars Goerigk (1366260)
مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Neuroscience, Mental Health, Virology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, density-driven errors, SOS 0-PBE revDSD-PBEP 86-D, dispersion-corrected DFT methods, ω B 97M PW 6B, MP 2 approach, CHAL 336 benchmark, CB interactions, DFT benchmark study, π- hole interactions, 3LYP, Quantum-Chemical Methods Describe C., London dispersion corrections, dispersion-uncorrected DFT methods, 2NCPLYP, chalcogen