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Exploring chemistry with electronic ...

Foresman, James B

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Exploring chemistry with electronic structure methods /

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	Exploring chemistry with electronic structure methods // James B. Foresman, Æleen Frisch
作者:	Foresman, James B
其他作者:	Frisch, AEleen
出版者:	Pittsburgh, PA :Gaussian, Inc., : 1996,
面頁冊數:	li, 302 pages :illustrations ;22 cm
內容註:	1. Computational models & model chemistries -- 2. Single point energy calculations -- 3. Geometry optimizations -- 4. Frequency calculations -- 5. Basis set effects -- 6. Selecting an appropriate theoretical method -- 7. High accuracy energy models -- 8. Studying chemical reactions and reactivity -- 9. Modeling excited states -- 10. Modeling systems in solution
標題:	Molecular orbitals -
ISBN:	0963676938

Exploring chemistry with electronic structure methods /
Foresman, James B

Exploring chemistry with electronic structure methods /James B. Foresman, Æleen Frisch - 2nd ed - Pittsburgh, PA :Gaussian, Inc.,1996 - li, 302 pages :illustrations ;22 cm

Includes bibliographical references and index

1. Computational models & model chemistries -- 2. Single point energy calculations -- 3. Geometry optimizations -- 4. Frequency calculations -- 5. Basis set effects -- 6. Selecting an appropriate theoretical method -- 7. High accuracy energy models -- 8. Studying chemical reactions and reactivity -- 9. Modeling excited states -- 10. Modeling systems in solution

ISBN: 0963676938Subjects--Topical Terms:

3729630
Molecular orbitals

LC Class. No.: QD461 / .F72 1996

Dewey Class. No.: 541.22

Universal Decimal Class. No.: 544.1

Exploring chemistry with electronic structure methods /
LDR:01692cam 2200289 a 4500 001 2378347
003 OCoLC
005 20240126064119.0
008 250307s1996 paua b 001 0 eng d
020 $a 0963676938 $q (pbk.)
020 $a 9780963676931 $q (pbk.)
035 $a (OCoLC)35319950 $z (OCoLC)985736611 $z (OCoLC)986038491 $z (OCoLC)986310455 $z (OCoLC)989590064 $z (OCoLC)1170068208
035 $a 35319950
040 $a GZM $b eng $c GZM $d BAKER $d NLGGC $d UBA $d YDXCP $d NZDUS $d DRB $d AU@ $d ZWZ $d HEBIS $d DEBSZ $d VLB $d GBVCP $d OCLCQ $d OCLCF $d OCLCQ $d OCLCO $d EUN $d OCLCO $d OCLCQ $d CEF $d TKN $d CRU $d OCLCQ $d UKMGB $d SAE $d OCLCQ $d NAG $d L2U $d U9X $d OCLCQ $d NETUE $d OPV $d OCLCO $d IL4J6 $d OCLCO $d UVA $d OCLCQ $d BOS $d OCLCO
050 # 4 $a QD461 $b .F72 1996
080 $a 544.1
082 0 4 $a 541.22 $2 21
100 1 $a Foresman, James B $3 3729628
245 1 0 $a Exploring chemistry with electronic structure methods / $c James B. Foresman, Æleen Frisch
250 $a 2nd ed
260 # $a Pittsburgh, PA : $b Gaussian, Inc., $c 1996
300 $a li, 302 pages : $b illustrations ; $c 22 cm
336 $a text $b txt $2 rdacontent
337 $a unmediated $b n $2 rdamedia
338 $a volume $b nc $2 rdacarrier
504 $a Includes bibliographical references and index
505 0 # $a 1. Computational models & model chemistries -- 2. Single point energy calculations -- 3. Geometry optimizations -- 4. Frequency calculations -- 5. Basis set effects -- 6. Selecting an appropriate theoretical method -- 7. High accuracy energy models -- 8. Studying chemical reactions and reactivity -- 9. Modeling excited states -- 10. Modeling systems in solution
530 $a Also issued online
650 # 0 $a Molecular orbitals $3 3729630
650 # 0 $a Electronic structure $3 731744
650 # 0 $a Chemical models $v Periodicals. $3 3729633
650 # 0 $a Chemistry $x Data processing $3 3729631
650 # 0 $a Chemistry $x Mathematics $v Handbooks, manuals, etc. $3 3220245
650 # 2 $a Models, Chemical $3 3729632
650 # 2 $a Cheminformatics $v Handbooks, manuals, etc. $3 3620009
700 1 # $a Frisch, AEleen $3 2310686
710 2 # $a Gaussian, Inc $3 3729629
776 0 8 $i Online version: $a Foresman, James B. $t Exploring chemistry with electronic structure methods. $b 2nd ed. $d Pittsburgh, PA : Gaussian, Inc., 1996 $w (OCoLC)606606016