. "Computational Studies of RNA and DNA" . "Challenges and Advances in Computional Chemistr..." . "The main goal of this chapter is to provide a basis for underestanding basic connections between NMR experiment and in silico computer simulation techniques. We outline the capability of modern theoretical approaches to assist with interpretation of experimental NMR data in terms of molecular structure."@en . "Trant\u00EDrek, Luk\u00E1\u0161" . . "Sychrovsk\u00FD, Vladim\u00EDr" . "Springer-Verlag" . "Quantum chemical calculations of NMR parameters" . . "513;536" . . "496214" . "[1F6B6A4F861B]" . . "Quantum chemical calculations of NMR parameters"@en . "The main goal of this chapter is to provide a basis for underestanding basic connections between NMR experiment and in silico computer simulation techniques. We outline the capability of modern theoretical approaches to assist with interpretation of experimental NMR data in terms of molecular structure." . "RIV/61388963:_____/06:00048147!RIV07-AV0-61388963" . "RIV/61388963:_____/06:00048147" . . . . "3"^^ . . . "Sch\u00F6fberger, W." . . . . "1"^^ . "Dordrecht" . "Kvantov\u00E9 chemick\u00E9 v\u00FDpo\u010Dty parametru NMR"@cs . "Quantum chemical calculations of NMR parameters"@en . "24"^^ . . "Obsah kapitoly je zam\u011B\u0159en\u00FD zejm\u00E9na na objasn\u011Bn\u00ED souvislost\u00ED mezi experimentem NMR a teoretick\u00FDmi vypo\u010Detn\u00EDmi metodami. P\u0159ehled modern\u00EDch v\u00FDpo\u010Detn\u00EDch metod ukazuje jejich pou\u017Eit\u00ED p\u0159i strukturn\u00ED interpretaci NMR spektroskopick\u00FDch dat."@cs . . "978-1-4020-4794-7" . "Quantum chemical calculations of NMR parameters" . "NMR; quantum chemical calculations; chemical shielding; spin-spin coupling"@en . . "Kvantov\u00E9 chemick\u00E9 v\u00FDpo\u010Dty parametru NMR"@cs . "P(1K04011), P(GA203/05/0388), Z(AV0Z40550506), Z(AV0Z60220518)" . . . . .