1,313 Works
peracetic acid, -304.192354
Henry Rzepa
Gaussian Calculation
2-phenyl-1,3,2-dioxaborolane-4,5-dione, aug-pcSeg-1
Henry Rzepa
Gaussian Calculation
BF3. Et2O in in chloroform wB97XD aug-pcSseg-0, B shielding 104.4332
Henry Rzepa
Gaussian Calculation
Data from: Evaluating the ability of community‐protected forests in Cambodia to prevent deforestation and degradation using temporal remote sensing data
Minerva Singh, Damian Evans, Jean-Baptise Chevance, Boun Suy Tan, Nicholas Wiggins, Leaksmy Kong & Sakada Sakhoeun
Community forests are known to play an important role in preserving forests in Cambodia, a country that has seen rapid deforestation in recent decades. The detailed evaluation of the ability of community‐protected forests to retain forest cover and prevent degradation in Cambodia will help to guide future conservation management. In this study, a combination of remotely sensing data was used to compare the temporal variation in forest structure for six different community forests located in...
OC: TS4 -1544.811283
Henry Rzepa
Gaussian Calculation
OC: TS3 -1544.789535 IRC
Henry Rzepa
Gaussian Calculation
3dg, ethyl 4-(5-((trimethylsilyl)methyl)-4,5-dihydro-1H-1,2,3-triazol-1-yl)benzoate
Luis Casarrubios
NMR data for compound 3dg
4oa, 1-mesityl-2-phenylaziridine
Luis Casarrubios
NMR data for compound 4oa
4pa, 3-(2-phenylaziridin-1-yl)pyridine
Luis Casarrubios
NMR data for compound 4pa
4-m NMR Spectra
Tom Hooper
4-m NMR Spectra
4ia, 1,2-diphenylaziridine
Luis Casarrubios
NMR data for compound 4ia
Reactant of the catalyst regeneration with acetic acid , TS7, removal of water via carboxyl displacement, iso water IRC
Henry Rzepa
Gaussian Calculation
Ethane test #3 --metadata 'Gibbs_Energy' '-78.238893'
Matthew Harvey
Gaussian Calculation
Data from: Lower bumblebee colony reproductive success in agricultural compared to urban environments
Ash E. Samuelson, Richard J. Gill, Mark J.F. Brown, Ellouise Leadbeater & Mark J. F. Brown
Urbanisation represents a rapidly growing driver of land-use change. While it is clear that urbanisation impacts species abundance and diversity, direct effects of urban land-use on animal reproductive success are rarely documented. Here we show that urban land-use is linked to long-term colony reproductive output in a key pollinator. We reared colonies from wild-caught bumblebee (Bombus terrestris) queens, placed them at sites characterised by varying degrees of urbanisation from inner city to rural farmland, and...
BOB cycle, TS7 for catalyst regeneration O-B formation, final closure -1083.013174
Henry Rzepa
Gaussian Calculation
Search for JCAMP-DX
Henry RzepaXeaxanthin, Daffodil colour
Henry Rzepa
Gaussian Calculation
BNB cycle, Ionic intermediate, Fig 13, with MeNH2 for atom balance -1102.410792 -14.9
Henry Rzepa
Gaussian Calculation
BNB cycle, TS5 for catalyst regeneration O-B, amine on amide -1102.376151
Henry Rzepa
Gaussian Calculation
OC: 4a def2-tzvpp, aldehyde, NO2 conformer -910.859908
Henry Rzepa
Gaussian Calculation
OC: 4a def2-tzvpp, NO2 conformer -910.860816 n-heptyl nstates=150 wB97XD acetonitrile
Henry Rzepa
Gaussian Calculation
OC: 4a freq(vcd) def2-tzvpp -910.861653 with n-heptyl nstates=150 wB97XD acetonitrile
Henry Rzepa
Gaussian Calculation
HDA-2+4 mechanism,TS1, cis + HCl, p=CN, IRC
Henry Rzepa
Gaussian Calculation
B-N-B bridge, Reactant 1st cycle -1006.518289 (+4.7) 10.14469/hpc/3181 PT => zwitterion -1006.516453
Henry Rzepa
Gaussian Calculation