1,445 Works
XIV(D) as per Figure S42
Charles ROMAIN
Gaussian Calculation
IX(L) as per Figure S42
Charles ROMAIN
Gaussian Calculation
XI(L) as per Figure S42
Charles ROMAIN
Gaussian Calculation
(R)-((1Ã�»4-pyrrolidin-2-yl)methyl)boronic acid hydrochloride
Henry Rzepa
Gaussian Calculation
LiBH4. 3thf wB97XD/aug-pcSseg-1 in thf
Henry Rzepa
Gaussian Calculation
Peracid epoxidation of nitroethene, Def2-TZVPPD/DCM/M062X, Product -587.333275
Henry Rzepa
Gaussian Calculation
peracid epoxidation of trans-dicyanoethene, Def2-TZVPPD/DCM/M062X , Product
Henry Rzepa
Gaussian Calculation
11B. 2-phenyl-1,3,2-dioxaborolane-4,5-dione in thf B3LYP + GD3BJ
Henry Rzepa
Gaussian Calculation
Hypervalent or not? A fluxional triselenide.
Henry RzepaSe(Se)4 Wiberg D2d
Henry Rzepa
Gaussian Calculation
FHF (-) NBO
Henry Rzepa
Gaussian Calculation
CMe3F(1-) Def2-TZVPPD NBO, Rydberg 0.80038, H BI 1.045 F 0.8859
Henry Rzepa
Gaussian Calculation
Hypervalent helium
Henry Rzepa
Hypervalent helium
MeCSCMe NBO
Henry Rzepa
Gaussian Calculation
HCClCH (+) linear WFN
Henry Rzepa
Gaussian Calculation
Hypervalent hydrogen?
Henry RzepaHDA-2+4 mechanism, TS1, trans + HCl, p=CN -1361.141415
Henry Rzepa
Gaussian Calculation
HDA-2+4 mechanism, Reactant, p=OMe -922.564764
Henry Rzepa
Gaussian Calculation
HDA-2+4 mechanism, Reactant, p=Cl -1267.651411
Henry Rzepa
Gaussian Calculation
HDA-2+4 mechanism, Reactant, trans + HCl, p=H HCl form, rotated -1268.876625
Henry Rzepa
Gaussian Calculation
(2R,5R)-2-(benzylamino)-2,5-diphenyl-1,3,2λ4-dioxaborolan-4-one, chloroform
Henry Rzepa
Gaussian Calculation
tris(2,2,2-trifluoroethyl) borate, b3lyp+GD3BJ/aug-cc-pvdz/scrf=chloroform
Henry Rzepa
Gaussian Calculation
SOMWIA C2 symmetry
Henry Rzepa
Gaussian Calculation
LiBH4. 3thf, aug-pcSseg-2 thf IOP(3/32=2)
Henry Rzepa
Gaussian Calculation