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Volume 133; Issue 17

The Journal of Chemical Physics

Volume 133; Issue 17
3

On Koopmans’ theorem in density functional theory

Year:
2010
Language:
english
File:
PDF, 1.69 MB
english, 2010
4

An unusually large nonadiabatic error in the BNB molecule

Year:
2010
Language:
english
File:
PDF, 401 KB
english, 2010
15

Spectroscopy of Cs[sub 2], RbCs, and Rb[sub 2] in solid [sup 4]He

Year:
2010
Language:
english
File:
PDF, 759 KB
english, 2010
32

The infrared spectrum of cyclic-N[sub 3]: Theoretical prediction

Year:
2010
Language:
english
File:
PDF, 805 KB
english, 2010
33

Optimum and efficient sampling for variational quantum Monte Carlo

Year:
2010
Language:
english
File:
PDF, 482 KB
english, 2010
42

Energy transfer of highly vibrationally excited biphenyl

Year:
2010
Language:
english
File:
PDF, 1.07 MB
english, 2010
43

Simulations of high-dielectric Stockmayer fluids in hyperspherical geometry

Year:
2010
Language:
english
File:
PDF, 574 KB
english, 2010
67

Communication: Rotational g-factor and spin-rotation constant of CH[sup +]

Year:
2010
Language:
english
File:
PDF, 89 KB
english, 2010
69

Classical photodissociation dynamics with Bohr quantization

Year:
2010
Language:
english
File:
PDF, 101 KB
english, 2010
71

The reweighted path ensemble

Year:
2010
Language:
english
File:
PDF, 4.32 MB
english, 2010