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Searched refs:Anion (Results 1 – 25 of 150) sorted by relevance

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/dports/science/tinker/tinker/test/
H A Danion.key65 ## atom 4 X- "Mystery Anion" 26 57.678 0 ##
76 atom 4 X- "Mystery Anion" 26 57.678 0
/dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/
H A D3nte_i3m.sdf49 Tri-iodode Anion
/dports/science/jdftx/jdftx-1.6.0/jdftx/fluid/
H A DFluidComponent.h76 { Solvent, Cation, Anion enumerator
H A DFluidSolverParams.cpp38 case FluidComponent::Anion: anions_.push_back(component); break; in addComponent()
H A DFluidComponent.cpp86 return Anion; in getType()
/dports/biology/protomol/protomol/examples/argon_400/
H A Dargon.par59 !-- Anion bonds
142 !-- Anion bond angles
232 !-- Anion dihedrals
299 !-- Anion atoms
/dports/science/nwchem-data/nwchem-7.0.2-release/src/basis/libraries/
H A D6-311+gs-j5 … P. von R. Schleyer, Efficient Diffuse Function- Augmented Basis Sets for Anion Calculations. III.…
H A D6-31+gs-j6 … P. von R. Schleyer, Efficient Diffuse Function- Augmented Basis Sets for Anion Calculations. III.…
H A D6-311++gss-j5 … P. von R. Schleyer, Efficient Diffuse Function- Augmented Basis Sets for Anion Calculations. III.…
H A D6-31++gss-j6 … P. von R. Schleyer, Efficient Diffuse Function- Augmented Basis Sets for Anion Calculations. III.…
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/basis/libraries/
H A D6-31+gs-j6 … P. von R. Schleyer, Efficient Diffuse Function- Augmented Basis Sets for Anion Calculations. III.…
H A D6-311++gss-j5 … P. von R. Schleyer, Efficient Diffuse Function- Augmented Basis Sets for Anion Calculations. III.…
H A D6-311+gs-j5 … P. von R. Schleyer, Efficient Diffuse Function- Augmented Basis Sets for Anion Calculations. III.…
H A D6-31++gss-j6 … P. von R. Schleyer, Efficient Diffuse Function- Augmented Basis Sets for Anion Calculations. III.…
/dports/science/tinker/tinker/params/
H A Damoebapro13.prm199 atom 48 7 CA "Cysteine Anion CA" 6 12.011 4
200 atom 49 14 S "Cysteine Anion S-" 16 32.066 1
231 atom 80 8 C "Tyrosine Anion CB" 6 12.011 4
232 atom 81 9 H "Tyrosine Anion HB" 1 1.008 1
233 atom 82 17 C "Tyrosine Anion CG" 6 12.011 3
234 atom 83 17 C "Tyrosine Anion CD" 6 12.011 3
235 atom 84 18 H "Tyrosine Anion HD" 1 1.008 1
236 atom 85 17 C "Tyrosine Anion CE" 6 12.011 3
237 atom 86 18 H "Tyrosine Anion HE" 1 1.008 1
238 atom 87 17 C "Tyrosine Anion CZ" 6 12.011 3
[all …]
H A Damoebabio09.prm197 atom 50 8 C "Cysteine Anion CB" 6 12.000 4
198 atom 51 9 H "Cysteine Anion HB" 1 1.008 1
199 atom 52 14 S "Cysteine Anion S-" 16 31.972 1
230 atom 83 8 C "Tyrosine Anion CB" 6 12.000 4
231 atom 84 9 H "Tyrosine Anion HB" 1 1.008 1
232 atom 85 17 C "Tyrosine Anion CG" 6 12.000 3
233 atom 86 17 C "Tyrosine Anion CD" 6 12.000 3
234 atom 87 18 H "Tyrosine Anion HD" 1 1.008 1
235 atom 88 17 C "Tyrosine Anion CE" 6 12.000 3
236 atom 89 18 H "Tyrosine Anion HE" 1 1.008 1
[all …]
H A Doplsaa.prm415 atom 363 13 CT "Nitrile Anion CNCH2-" 6 12.011 3
416 atom 364 46 HC "Nitrile Anion CNCH2-" 1 1.008 1
417 atom 365 19 CZ "Nitrile Anion CNCH2-" 6 12.011 2
418 atom 366 18 NZ "Nitrile Anion CNCH2-" 7 14.007 1
419 atom 367 6 C3 "Me Amine Anion CH3NH-" 6 12.011 4
420 atom 368 46 HC "Me Amine Anion CH3NH-" 1 1.008 1
421 atom 369 53 N3 "Me Amine Anion CH3NH-" 7 14.007 2
422 atom 370 45 H "Methyl Amine Anion" 1 1.008 1
423 atom 371 6 C3 "Ethyl Anion CH3-CH2-" 6 12.011 4
424 atom 372 46 HC "Ethyl Anion CH3-CH2-" 1 1.008 1
[all …]
H A Dsmoothaa.prm416 atom 360 13 CT "Nitrile Anion CNCH2-" 6 12.011 3
417 atom 361 36 HC "Nitrile Anion CNCH2-" 1 1.008 1
418 atom 362 19 CZ "Nitrile Anion CNCH2-" 6 12.011 2
419 atom 363 18 NZ "Nitrile Anion CNCH2-" 7 14.007 1
420 atom 364 6 C3 "Me Amine Anion CH3NH-" 6 12.011 4
421 atom 365 36 HC "Me Amine Anion CH3NH-" 1 1.008 1
422 atom 366 43 N3 "Me Amine Anion CH3NH-" 7 14.007 2
423 atom 367 34 H "Methyl Amine Anion" 1 1.008 1
424 atom 368 6 C3 "Ethyl Anion CH3-CH2-" 6 12.011 4
425 atom 369 36 HC "Ethyl Anion CH3-CH2-" 1 1.008 1
[all …]
H A Damoebabio18.prm189 atom 48 7 CA "Cysteine Anion CA" 6 12.011 4
190 atom 49 14 S "Cysteine Anion S-" 16 32.066 1
221 atom 80 8 C "Tyrosine Anion CB" 6 12.011 4
222 atom 81 9 H "Tyrosine Anion HB" 1 1.008 1
223 atom 82 17 C "Tyrosine Anion CG" 6 12.011 3
224 atom 83 17 C "Tyrosine Anion CD" 6 12.011 3
225 atom 84 18 H "Tyrosine Anion HD" 1 1.008 1
226 atom 85 17 C "Tyrosine Anion CE" 6 12.011 3
227 atom 86 18 H "Tyrosine Anion HE" 1 1.008 1
228 atom 87 17 C "Tyrosine Anion CZ" 6 12.011 3
[all …]
H A Ddang.prm97 C. D. Wick and L. X. Dang, "Investigating Hydroxide Anion Interfacial
/dports/science/avogadro2/avogadroapp-1.94.0/i18n/
H A Dfr.po2560 #~ msgid "Anion"
2561 #~ msgstr "Anion"
/dports/science/py-avogadrolibs/avogadrolibs-1.94.0/i18n/
H A Dnb.po2314 msgid "Anion"
2315 msgstr "Anion"
H A Dsk.po2308 msgid "Anion"
2309 msgstr "Anion"
/dports/science/avogadrolibs/avogadrolibs-1.94.0/i18n/
H A Dsk.po2308 msgid "Anion"
2309 msgstr "Anion"
H A Dnb.po2314 msgid "Anion"
2315 msgstr "Anion"

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