Constants - Revision history

Endel at 10:47, 23 November 2007

2007-11-23T10:47:38Z

2007-11-23T10:47:07Z

← Older revision		Revision as of 13:47, 23 November 2007
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	Number of units in simulation cell: n=rhoVNa/M		Number of units in simulation cell: n=rhoVNa/M

	Buckinghami potentsiaali valem: <math>U(r)=A \cdot \exp\left(-{r\over\rho}\right)-{C\over r^6}</math>		Buckinghami potentsiaali valem:

			<math>U(r)=A \cdot \exp\left(-{r\over\rho}\right)-{C\over r^6}</math>

	Lennard-Jonesi potentsiaali valem:		Lennard-Jonesi potentsiaali valem:

	<math>U(r)=D_0\left[		<math>U(r)=D_0\left[
	\left({		\left({
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	\right]</math>		\right]</math>

	UFF artiklist tulenevad valemid Buckinghami sobitamiseks Lennard-Jonesi potentsiaaliga: <math>A=D_0e^{12}</math>, <math>\rho={R_0\over12}</math>, <math>C=D_0\cdot R_0</math>		UFF artiklist tulenevad valemid Buckinghami sobitamiseks Lennard-Jonesi potentsiaaliga:

			<math>A=D_0e^{12}</math>,

			<math>\rho={R_0\over12}</math>,

			<math>C=D_0\cdot R_0</math>.

2007-11-23T10:33:18Z

← Older revision		Revision as of 13:33, 23 November 2007
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	Lennard-Jonesi potentsiaali valem:		Lennard-Jonesi potentsiaali valem:
	<math>U(r)=D_0\left{		<math>U(r)=D_0\left[
	\left({		\left({
	R_0\over r}		R_0\over r}
	\right)^{12}~~</math>~~-~~<math>~~2\left({		\right)^{12}-2\left({
	R_0\over r		R_0\over r
	}\right)^6		}\right)^6
	\right}</math>		\right]</math>

	UFF artiklist tulenevad valemid Buckinghami sobitamiseks Lennard-Jonesi potentsiaaliga: <math>A=D_0e^{12}</math>, <math>\rho={R_0\over12}</math>, <math>C=D_0\cdot R_0</math>		UFF artiklist tulenevad valemid Buckinghami sobitamiseks Lennard-Jonesi potentsiaaliga: <math>A=D_0e^{12}</math>, <math>\rho={R_0\over12}</math>, <math>C=D_0\cdot R_0</math>

2007-11-23T10:32:24Z

← Older revision		Revision as of 13:32, 23 November 2007
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	Buckinghami potentsiaali valem: <math>U(r)=A \cdot \exp\left(-{r\over\rho}\right)-{C\over r^6}</math>		Buckinghami potentsiaali valem: <math>U(r)=A \cdot \exp\left(-{r\over\rho}\right)-{C\over r^6}</math>

	Lennard-Jonesi potentsiaali valem: <math>U(r)=~~D_{LJ}~~\left{\left(R_{~~LJ}~~\over r\right)^{12}\-2\left(R_{~~LJ}~~\over r\right)^6\right}</math>		Lennard-Jonesi potentsiaali valem:
			<math>U(r)=D_0\left{
			\left({
			R_0\over r}
			\right)^{12}</math>-<math>2\left({
			R_0\over r
			}\right)^6
			\right}</math>

	UFF artiklist tulenevad valemid Buckinghami sobitamiseks Lennard-Jonesi potentsiaaliga: <math>A=D_{LJ}~~e^12~~</math>, <math>\rho={~~R_{LJ}~~\over12}</math>, <math>C=~~D_{LJ}R_{LJ}~~</math>		UFF artiklist tulenevad valemid Buckinghami sobitamiseks Lennard-Jonesi potentsiaaliga: <math>A=D_0e^{12}</math>, <math>\rho={R_0\over12}</math>, <math>C=D_0\cdot R_0</math>

2007-11-23T10:27:24Z

← Older revision		Revision as of 13:27, 23 November 2007
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	Number of units in simulation cell: n=rhoVNa/M		Number of units in simulation cell: n=rhoVNa/M

			Buckinghami potentsiaali valem: <math>U(r)=A \cdot \exp\left(-{r\over\rho}\right)-{C\over r^6}</math>

			Lennard-Jonesi potentsiaali valem: <math>U(r)=D_{LJ}\left{\left(R_{LJ}\over r\right)^{12}\-2\left(R_{LJ}\over r\right)^6\right}</math>

			UFF artiklist tulenevad valemid Buckinghami sobitamiseks Lennard-Jonesi potentsiaaliga: <math>A=D_{LJ}e^12</math>, <math>\rho={R_{LJ}\over12}</math>, <math>C=D_{LJ}R_{LJ}</math>

2007-03-09T13:38:22Z

← Older revision		Revision as of 16:38, 9 March 2007
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	1 kcal/mol = 6.94768e-3 mdyn*Å		1 kcal/mol = 6.94768e-3 mdyn*Å

			Number of units in simulation cell: n=rhoVNa/M

2007-02-21T12:45:47Z

2007-02-21T12:41:48Z

2007-02-21T12:36:30Z

← Older revision		Revision as of 15:36, 21 February 2007
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	Avogadro's Number: ~~<math>~~N_A =~~</math>~~6.0221415e23 ~~<math>~~mol^{-~~1}</math>~~		Avogadro's Number: N_A = 6.0221415e23 (1/mol)

			Elementary Charge: e = 1.60217646e-19 C

2007-02-21T12:34:27Z

New page

Avogadro's Number: <math>N_A =</math>6.0221415e23 <math>mol^{-1}</math>