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Subject 541.28

2953. Variational functionals for excited state saddle points versus traditional Hylleraas–Undheim and McDonald higher "roots, " and a way to instantly improve a lowest state crude approximant. Issue 6 (13th December 2021)

Authors:
Bacalis, Naoum C.; Xiong, Zhuang; Wang, Zhen Xin; Karaoulanis, Dimitris
Journal:
International journal of quantum chemistry
Issue:
Volume 122:Issue 6(2022)
Page Start:
n/a
Record Type:
Journal Article
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2955. Viability of half‐sandwich complex of heavier group‐14 elements (SiPb) with neutral Be3 ring and its potential application as H2 storage material. Issue 9 (6th January 2022)

Authors:
Kalita, Amlan J.; Dutta, Priyanka; Yashmin, Farnaz; Borah, Ritam R.; Deka, Rinu P.; Guha, Ankur K.
Journal:
International journal of quantum chemistry
Issue:
Volume 122:Issue 9(2022)
Page Start:
n/a
Record Type:
Journal Article
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Available online (eLD content is only available in our Reading Rooms) ↗

2956. Vibrational enhancement of positron affinities for nonpolar carbon dioxide and carbon disulfide molecules: Multi‐component molecular orbital study for vibrational excited states. Issue 3 (7th April 2012)

Authors:
Koyanagi, Katsuhiko; Kita, Yukiumi; Tachikawa, Masanori; Nakai, Hiromi; Yoshizawa, Kazunari; Ando, Koji; Nakajima, Takahito; Brändas, Erkki J.
Journal:
International journal of quantum chemistry
Issue:
Volume 113:Issue 3(2013:Feb. 05)
Page Start:
382
Record Type:
Journal Article
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Available online (eLD content is only available in our Reading Rooms) ↗