194,940 Works

[Embargoed]

Bethan Coulson

K2 (2-) triplet

Henry Rzepa
Gaussian Calculation

Rb2 (2-) triplet

Henry Rzepa
Gaussian Calculation

Ca2 (2-) Wiberg

Henry Rzepa
Gaussian Calculation

Mg2 (2-) Wiberg

Henry Rzepa
Gaussian Calculation

Cs2 (2-)

Henry Rzepa
Gaussian Calculation

3, TPSSH/Def2-TZVPP/SCRF=thf, triplet state

Henry Rzepa
Gaussian Calculation

LiB (2-) triplet Wiberg

Henry Rzepa
Gaussian Calculation

LiBe (1-) triplet Wiberg

Henry Rzepa
Gaussian Calculation

Li2 (2-) triplet wiberg Def2-QZVPPD

Henry Rzepa
Gaussian Calculation

Li2 (2-) triplet wiberg

Henry Rzepa
Gaussian Calculation

B2 Excited singlet exhibiting triple BB bond.

Henry Rzepa
Gaussian Calculation

Be2 (2-) Wiberg excited singlet

Henry Rzepa
Gaussian Calculation

Be2 singlet Wiberg

Henry Rzepa
Gaussian Calculation

(Z) H Reactant 1 anti (opt freq)

Bethan Coulson
Gaussian Calculation

(Z) H Reactant 2 syn (opt freq)

Bethan Coulson
Gaussian Calculation

Bromine TS 10 (opt modred)

Bethan Coulson
Gaussian Calculation

Z Bromine TS 11 (opt ts freq 298K)

Bethan Coulson
Gaussian Calculation

(Z) Bromine TS 11 (freq)

Bethan Coulson
Gaussian Calculation

Be2 (2+) Wiberg

Henry Rzepa
Gaussian Calculation

Be2 triplet excited state

Henry Rzepa
Gaussian Calculation

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