Zobrazeno 1 - 10
of 9 720
pro vyhledávání: '"bond order"'
Autor:
Syuhada, Ibnu1 ibnu_syuhada_p3@yahoo.com, Hauwali, Nikodemus Umbu Janga1, Rosikhin, Ahmad1, Sustini, Euis1, Noor, Fatimah Arofiati1 fatimah@fi.itb.ac.id, Winata, Toto1 toto@fi.itb.ac.id
Publikováno v:
Scientific Reports. 2/11/2021, Vol. 11 Issue 1, p1-12. 12p.
Publikováno v:
Journal of Structural Chemistry. Dec2018, Vol. 59 Issue 8, p1903-1910. 8p.
Publikováno v:
Chinese Journal of Chemistry. Jun2017, Vol. 35 Issue 6, p927-930. 4p.
Autor:
Henryk A. Witek, Rafał Podeszwa
Publikováno v:
Molecules, Vol 29, Iss 17, p 4013 (2024)
We report an extensive tabulation of several important topological invariants for all the isomers of carbon (5,6)-fullerenes Cn with n = 52–70. The topological invariants (including Kekulé count, Clar count, and Clar number) are computed and repor
Externí odkaz:
https://doaj.org/article/bc591155116d46708606c077f50f6a65
Autor:
Nayuta Suzuki1 suzukin15@chem.sci.osaka-u.ac.jp, Yuki Mitsuta1 mitsutay13@chem.sci.osaka-u.ac.jp, Mitsutaka Okumura1 ok@chem.sci.osaka-u.ac.jp, Shusuke Yamanaka1 syama@chem.sci.osaka-u.ac.jp
Publikováno v:
International Journal of Molecular Sciences. Nov2016, Vol. 17 Issue 11, following p1779. 43p. 8 Diagrams, 19 Charts, 9 Graphs.
Publikováno v:
Angewandte Chemie. 9/12/2016, Vol. 128 Issue 38, p11786-11790. 5p.
Autor:
Moriarty, John A., author
Publikováno v:
Theory and Application of Quantum-Based Interatomic Potentials in Metals and Alloys, 2023, ill.
Externí odkaz:
https://doi.org/10.1093/oso/9780198822172.003.0005
Autor:
Moriarty, John A., author
Publikováno v:
Theory and Application of Quantum-Based Interatomic Potentials in Metals and Alloys, 2023, ill.
Externí odkaz:
https://doi.org/10.1093/oso/9780198822172.003.0010
Autor:
Moriarty, John A., author
Publikováno v:
Theory and Application of Quantum-Based Interatomic Potentials in Metals and Alloys, 2023, ill.
Externí odkaz:
https://doi.org/10.1093/oso/9780198822172.003.0001
Publikováno v:
Advances in Physics: X, Vol 8, Iss 1 (2023)
ABSTRACTInteratomic potentials approximate the potential energy of atoms as a function of their coordinates. Their main application is the effective simulation of many-atom systems. Here, we review empirical interatomic potentials designed to reprodu
Externí odkaz:
https://doaj.org/article/ba24824c464f4ef2a06970a3e1eebd10