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91.
Abe K Abt I Ash WW Aston D Bacchetta N Baird KG Baltay C Band HR Barakat MB Baranko G Bardon O Barklow T Bazarko AO Ben-David R Benvenuti AC Bienz T Bilei GM Bisello D Blaylock G Bogart JR Bolton T Bower GR Brau JE Breidenbach M Bugg WM Burke D Burnett TH Burrows PN Busza W Calcaterra A Caldwell DO Calloway D Camanzi B Carpinelli M Cassell R Castaldi R Castro A Cavalli-Sforza M Church E Cohn HO Coller JA Cook V Cotton R Cowan RF Coyne DG D'Oliveira A Damerell CJ Dasu S De Sangro R De Simone P 《Physical review D: Particles and fields》1994,50(9):5580-5590
92.
Abe F Akimoto H Akopian A Albrow MG Amendolia SR Amidei D Antos J Anway-Wiese C Aota S Apollinari G Asakawa T Ashmanskas W Atac M Azfar F Azzi-Bacchetta P Bacchetta N Badgett W Bagdasarov S Bailey MW Bao J de Barbaro P Barbaro-Galtieri A Barnes VE Barnett BA Barzi E Bauer G Baumann T Bedeschi F Behrends S Belforte S Bellettini G Bellinger J Benjamin D Benlloch J Bensinger J Benton D Beretvas A Berge JP Berryhill J Bertolucci S Bevensee B Bhatti A Biery K Binkley M Bisello D Blair RE Blocker C 《Physical review letters》1996,77(25):5005-5010
93.
Abe F Akimoto H Akopian A Albrow MG Amendolia SR Amidei D Antos J Anway-Wiese C Aota S Apollinari G Asakawa T Ashmanskas W Atac M Azfar F Azzi-Bacchetta P Bacchetta N Badgett W Bagdasarov S Bailey MW Bao J de Barbaro P Barbaro-Galtieri A Barnes VE Barnett BA Barzi E Bauer G Baumann T Bedeschi F Behrends S Belforte S Bellettini G Bellinger J Benjamin D Benlloch J Bensinger J Benton D Beretvas A Berge JP Berryhill J Bertolucci S Bhatti A Biery K Binkley M Bisello D Blair RE Blocker C Bodek A 《Physical review letters》1996,77(10):1945-1949
94.
Abe F Akimoto H Akopian A Albrow MG Amendolia SR Amidei D Antos J Anway-Wiese C Aota S Apollinari G Asakawa T Ashmanskas W Atac M Auchincloss P Azfar F Azzi-Bacchetta P Bacchetta N Badgett W Bagdasarov S Bailey MW Bao J de Barbaro P Barbaro-Galtieri A Barnes VE Barnett BA Barzi E Bauer G Baumann T Bedeschi F Behrends S Belforte S Bellettini G Bellinger J Benjamin D Benlloch J Bensinger J Benton D Beretvas A Berge JP Berryhill J Bertolucci S Bhatti A Biery K Binkley M Bisello D Blair RE 《Physical review letters》1996,76(23):4307-4311
95.
96.
Abe F Albrow M Amidei D Anway-Wiese C Apollinari G Atac M Auchincloss P Azzi P Baden AR Bacchetta N Badgett W Bailey MW Bamberger A de Barbaro P Barbaro-Galtieri A Barnes VE Barnett BA Bauer G Baumann T Bedeschi F Behrends S Belforte S Bellettini G Bellinger J Benjamin D Benlloch J Bensinger J Beretvas A Berge JP Bertolucci S Biery K Bhadra S Binkley M Bisello D Blair R Blocker C Bodek A Bolognesi V Booth AW Boswell C Brandenburg G Brown D Buckley-Geer E Budd HS Busetto G Byon-Wagner A 《Physical review D: Particles and fields》1993,48(3):998-1008
97.
98.
Abe K Abt I Acton PD Agnew G Ash WW Aston D Bacchetta N Baird KG Baltay C Band HR Baranko G Bardon O Battiston R Bazarko AO Bean A Belcinski RJ Ben-David R Benvenuti AC Biasini M Bienz T Bilei GM Bisello D Blaylock G Bogart JR Bolton T Bower GR Brau JE Breidenbach M Bugg WM Burke D Burnett TH Burrows PN Busza W Calcaterra A Caldwell DO Calloway D Camanzi B Carpinelli M Carr J Cassell R Castaldi R Castro A Cavalli-Sforza M Chadwick GB Chen L Church E Claus R Cohn HO Coller JA Cook V Cotton R 《Physical review letters》1993,71(16):2528-2532
99.
The concise synthesis of Amaryllidaceae alkaloids, such as anhydrolycorinone, anhydrolycorin-7-one, assoanine, and oxoassoanine, which have a pyrrolophenanthridine skeleton, was achieved in moderate yield using the Pd-mediated biaryl coupling reaction of 1-(2-halobenzyl)-2,3-dihydroindole, which applied the regioselective C-H activation method with intramolecular coordination of the benzylamino group to Pd. 相似文献
100.
Tawada Y Tsuneda T Yanagisawa S Yanai T Hirao K 《The Journal of chemical physics》2004,120(18):8425-8433
We apply the long-range correction (LC) scheme for exchange functionals of density functional theory to time-dependent density functional theory (TDDFT) and examine its efficiency in dealing with the serious problems of TDDFT, i.e., the underestimations of Rydberg excitation energies, oscillator strengths, and charge-transfer excitation energies. By calculating vertical excitation energies of typical molecules, it was found that LC-TDDFT gives accurate excitation energies, within an error of 0.5 eV, and reasonable oscillator strengths, while TDDFT employing a pure functional provides 1.5 eV lower excitation energies and two orders of magnitude lower oscillator strengths for the Rydberg excitations. It was also found that LC-TDDFT clearly reproduces the correct asymptotic behavior of the charge-transfer excitation energy of ethylene-tetrafluoroethylene dimer for the long intramolecular distance, unlike a conventional far-nucleus asymptotic correction scheme. It is, therefore, presumed that poor TDDFT results for pure functionals may be due to their lack of a long-range orbital-orbital interaction. 相似文献