constant | value |
h (Planck's constant) | 6.6260755*10-34 J s |
kB (Boltzman's constant) | 1.380658*10-23 J K-1 |
NA (Avogadro's number) | 6.0221367*1023 mol-1 |
c (speed of light) | 2.99792458*1010 cm s-1 |
ao (Bohr radius) | 5.29177249*10-11 m |
e (charge of electron) | 1.60217733*10-19 Coul |
unit | conversion factor |
1 Debye | 3.336*10-30 Coul m |
1 eV | 1.60217733*10-19 J |
1 Hartree | 4.3597482*10-18 J |
1 Hartree | 627.509 kcal mol-1 |
1 Hartree | 27.2116 eV |
1 kcal mol-1 | 4.184 J mol-1 |
1 Electron volt | 23.06035 kcal mol-1 |
1 Bohr | 0.529177249 Angstroms |
ZPVE (Hartree) | 2.27817*10-6 * vib. wavenumber (cm-1) |
vibrational temperatur Tv (K) | 1.43877 * vib. wavenumber (cm-1) |
1 unit = | hartree | kJ mol-1 | kcal mol-1 | eV | cm-1 |
hartree | 1 | 2625.50 | 627.51 | 27.212 | 2.1947x105 |
kJ mol-1 | 3.8088x10-4 | 1 | 0.23901 | 1.0364x10-2 | 83.593 |
kcal mol-1 | 1.5936x10-3 | 4.1840 | 1 | 4.3363x10-2 | 349.75 |
eV | 3.6749x10-2 | 96.485 | 23.061 | 1 | 8065.5 |
cm-1 | 4.5563x10-6 | 1.1963x10-2 | 2.8591x10-3 | imb1.2398x10-4 | 1 | tutorial
晶系(Crystal system) | 点群 (Point group) | 空间群(Space group) | |||||||||
国际符号(HM) | 圣佛利斯符号(Schfl.) | ||||||||||
三斜 晶系 | 1 | C1 | P1 | ||||||||
Ci | P | ||||||||||
单斜 晶系 | 2 | P2 | P21 | C2 | |||||||
m | Pm | Pc | Cm | Cc | |||||||
2/m | P2/m | P21/m | C2/m | P2/c | P21/C | C2/c | |||||
正交 晶系 | 222 | P222 | P2221 | P21212 | P212121 | C2221 | C222 | F222 | I222 | I212121 | |
mm2 | Pmm2 | Pmc21 | Pcc2 | Pma2 | Pca21 | Pnc2 | Pmn21 | Pba2 | Pna21 | ||
Pnn2 | Cmm2 | Cmc21 | Ccc2 | Amm2 | Abm2 | Ama2 | Aba2 | Fmm2 | |||
Fdd2 | Imm2 | Iba2 | Ima2 | ||||||||
mmm | Pmmm | Pnnn | Pccm | Pban | Pmma | Pnna | Pmna | Pcca | Pbam | ||
Pccn | Pbcm | Pnnm | Pmmn | Pbcn | Pbca | Pnma | Cmcm | Cmca | |||
Cmmm | Cccm | Cmma | Ccca | Fmmm | Fddd | Immm | Ibam | Ibca | |||
Imma | |||||||||||
四方 晶系 | 4 | P4 | P41 | P42 | P43 | I4 | I41 | ||||
P | I | ||||||||||
4/m | P4/m | P42/m | P4/n | P42/n | I4/m | I41/a | |||||
422 | P422 | P4212 | P4122 | P41212 | P4222 | P42212 | P4322 | P43212 | I422 | ||
I4122 | |||||||||||
4mm | P4mm | P4bm | P42cm | 考研报名费多少钱P42nm | P4cc | P4nc | P42mc | P42bc | I4mm | ||
I4cm | I41md | I41cd | |||||||||
2m | P 2m | cashback P2c | P 21m | P21c | P m2 | P c2 | P b2 | Pn2 | I m2 | ||
Ic2 | I 2m | I 2d | |||||||||
4/mmm | P4/mmm | P4/mcc | P4/nbm | P4/nnc | P4/mbm | P4/mnc | P4/nmm | P4/ncc | P42/mmc | ||
P42/mcm | P42/nbc | P42/nnm dcim什么意思 | P42/mbc | P42/mnm | P42/nmc | P42/ncm | I4/mmm | I4/mcm | |||
I41/amd | I41/acd | ||||||||||
三方 晶系 | 3 | P3 | P31 | P32 | R3 | ||||||
P | R | ||||||||||
32 | P312 | P321 | P3112 | P3121 | P3212 | P3221 | R32 | ||||
3m | P3m1 | P31m | P3c1 | P31c | R3m | R3c | |||||
m | P1m | P 1c endurance | Pm1 | Pc1 | R m | R c | |||||
六方 晶系 | 6 | P6 | P61 | P65 | P62 | P64 | P63 | ||||
P | |||||||||||
6/m | blockadeP6/m | P63/m | |||||||||
622 | P622 | P6122 | P6522 | P6222 | P6422 | P6322 | |||||
6mm | P6mm | P6cc | P63cm pigtail | P63mc | |||||||
m2 | P m2 | P c2 | P 2m beem | P 2c | |||||||
6/mmm | P6/mmm | P6/mcc | P63/mcm | P63/mmc | |||||||
立方 晶系 | 23 | P23 | F23 | I23 | P213 | I213 | |||||
m | Pm3 | Pn3 | Fm3 | Fd3 | Im3 | Pa3 | Ia3 | ||||
432 | P432 | P4232 | F432 | F4132 | I432 | P4332 | P4132 | I4132 | |||
3m | P 3m | F 3m | I3m | P3n | F 3c | I 3d | |||||
m m | Pm m | Pn n | Pmn | Pn m | Fm m | Fm c | Fd m | Fd c | Imm | ||
Ia d | |||||||||||
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